MODEL 1 1 1 MET 4.872 7.142 6.114 4 4 8 2 2 ALA 4.789 5.060 4.844 4 1 5 3 3 ASP 3.341 3.744 3.548 4 4 8 4 4 THR 2.286 4.357 3.335 4 3 7 5 5 GLY 1.847 .000 1.847 4 0 4 6 6 GLU 1.531 2.247 1.961 4 5 9 7 7 VAL 1.576 1.879 1.713 4 3 7 8 8 GLN 1.186 1.556 1.404 4 5 9 9 9 PHE .890 1.860 1.578 4 7 11 10 10 MET .766 .868 .819 4 4 8 11 11 LYS .855 .875 .866 4 5 9 12 12 PRO .799 1.091 .935 4 3 7 13 13 PHE .812 2.167 1.796 4 7 11 14 14 ILE .814 1.193 1.021 4 4 8 15 15 SER .747 1.442 1.032 4 2 6 16 16 GLU .927 1.435 1.235 4 5 9 17 17 LYS .729 1.823 1.443 4 5 9 18 18 SER .631 1.438 .977 4 2 6 19 19 SER 1.010 1.556 1.220 4 2 6 20 20 LYS .999 2.062 1.675 4 5 9 21 21 SER .674 .609 .653 4 2 6 22 22 LEU .627 1.250 .989 4 4 8 23 23 GLU .885 2.671 2.076 4 5 9 24 24 ILE .635 .930 .796 4 4 8 25 25 PRO .244 .354 .296 4 3 7 26 26 LEU .843 1.264 1.074 4 4 8 27 27 GLY 1.506 .000 1.506 4 0 4 28 28 PHE 1.233 3.214 2.669 4 7 11 29 29 ASN .710 .664 .687 4 4 8 30 30 GLU .800 1.040 .941 4 5 9 31 31 TYR 1.202 2.502 2.158 4 8 12 32 32 PHE 1.005 1.659 1.456 4 7 11 33 33 PRO 1.074 1.011 1.048 4 3 7 34 34 ALA 1.239 1.207 1.233 4 1 5 35 35 PRO 1.332 1.368 1.348 4 3 7 36 36 PHE 1.395 1.358 1.372 4 7 11 37 37 PRO 1.349 1.395 1.369 4 3 7 38 38 ILE 1.328 1.562 1.450 4 4 8 39 39 THR .875 .983 .922 4 3 7 40 40 VAL .529 .880 .702 4 3 7 41 41 ASP .375 1.315 .967 4 4 8 42 42 LEU .256 .448 .365 4 4 8 43 43 LEU .235 .678 .507 4 4 8 44 44 ASP .834 1.317 1.103 4 4 8 45 45 TYR 1.478 3.420 2.920 4 8 12 46 46 SER 1.260 1.794 1.460 4 2 6 47 47 GLY .945 .000 .945 4 0 4 48 48 ARG .407 3.147 2.522 4 7 11 49 49 SER .203 .332 .253 4 2 6 50 50 TRP .433 .675 .615 4 10 14 51 51 THR .493 .544 .515 4 3 7 52 52 VAL .357 .799 .588 4 3 7 53 53 ARG .261 1.901 1.524 4 7 11 54 54 MET .155 .911 .653 4 4 8 55 55 LYS .331 1.359 1.037 4 5 9 56 56 LYS .984 .893 .934 4 5 9 57 57 ARG 1.188 2.957 2.466 4 7 11 58 58 GLY 2.357 .000 2.357 4 0 4 59 59 GLU 2.181 2.251 2.220 4 5 9 60 60 LYS 1.107 1.300 1.218 4 5 9 61 61 VAL .805 .307 .641 4 3 7 62 62 PHE .361 1.128 .926 4 7 11 63 63 LEU .590 1.580 1.193 4 4 8 64 64 THR .521 1.313 .945 4 3 7 65 65 VAL .413 1.241 .870 4 3 7 66 66 GLY .328 .000 .328 4 0 4 67 67 TRP .399 .669 .605 4 10 14 68 68 GLU .370 1.558 1.187 4 5 9 69 69 ASN .484 1.064 .826 4 4 8 70 70 PHE .718 1.129 1.000 4 7 11 71 71 VAL .767 1.000 .874 4 3 7 72 72 LYS .699 1.820 1.434 4 5 9 73 73 ASP .953 1.540 1.281 4 4 8 74 74 ASN 1.546 2.739 2.224 4 4 8 75 75 ASN 1.415 2.037 1.754 4 4 8 76 76 LEU .637 1.254 .995 4 4 8 77 77 GLU .593 1.578 1.241 4 5 9 78 78 ASP .837 1.218 1.045 4 4 8 79 79 GLY .779 .000 .779 4 0 4 80 80 LYS .492 1.122 .898 4 5 9 81 81 TYR .496 .827 .734 4 8 12 82 82 LEU .523 1.683 1.246 4 4 8 83 83 GLN .585 1.133 .930 4 5 9 84 84 PHE .765 1.416 1.220 4 7 11 85 85 ILE .774 .998 .893 4 4 8 86 86 TYR 1.436 3.416 2.910 4 8 12 87 87 ASP 1.618 1.848 1.737 4 4 8 88 88 ARG 1.552 3.100 2.644 4 7 11 89 89 ASP 1.327 1.525 1.430 4 4 8 90 90 ARG 1.761 7.804 6.316 4 7 11 91 91 THR .731 1.652 1.215 4 3 7 92 92 PHE .395 1.052 .872 4 7 11 93 93 TYR .379 2.102 1.730 4 8 12 94 94 VAL .321 .293 .309 4 3 7 95 95 ILE .423 1.131 .854 4 4 8 96 96 ILE .368 1.655 1.199 4 4 8 97 97 TYR .547 1.356 1.151 4 8 12 98 98 GLY 1.143 .000 1.143 4 0 4 99 99 HIS .580 3.706 2.894 4 6 10 100 100 ASN 2.717 5.251 4.181 4 4 8 101 101 MET 2.471 4.000 3.325 4 4 8 102 102 CYS 4.311 6.219 5.159 3 2 5 ENDMDL Model RMS deviations: 1.3260 2.3032 1.8975 407 440 847 MODEL 2 1 1 MET 6.472 5.511 6.011 4 4 8 2 2 ALA 3.963 4.416 4.058 4 1 5 3 3 ASP 2.914 4.735 3.932 4 4 8 4 4 THR 1.517 3.044 2.299 4 3 7 5 5 GLY 1.049 .000 1.049 4 0 4 6 6 GLU .429 .957 .768 4 5 9 7 7 VAL .163 .248 .204 4 3 7 8 8 GLN .306 1.406 1.068 4 5 9 9 9 PHE .396 2.315 1.862 4 7 11 10 10 MET .770 1.091 .945 4 4 8 11 11 LYS 1.002 1.124 1.072 4 5 9 12 12 PRO .793 .996 .886 4 3 7 13 13 PHE .547 1.696 1.393 4 7 11 14 14 ILE .307 .592 .472 4 4 8 15 15 SER .662 1.304 .927 4 2 6 16 16 GLU .923 1.583 1.331 4 5 9 17 17 LYS .756 1.567 1.272 4 5 9 18 18 SER .590 1.578 1.031 4 2 6 19 19 SER .710 .821 .749 4 2 6 20 20 LYS .715 1.743 1.384 4 5 9 21 21 SER .680 .641 .667 4 2 6 22 22 LEU .650 1.560 1.195 4 4 8 23 23 GLU .694 2.145 1.665 4 5 9 24 24 ILE .634 1.060 .874 4 4 8 25 25 PRO .663 .783 .717 4 3 7 26 26 LEU .643 1.418 1.101 4 4 8 27 27 GLY .694 .000 .694 4 0 4 28 28 PHE .865 1.654 1.419 4 7 11 29 29 ASN .941 1.093 1.020 4 4 8 30 30 GLU .454 1.208 .950 4 5 9 31 31 TYR .451 1.263 1.063 4 8 12 32 32 PHE .597 .858 .773 4 7 11 33 33 PRO .680 .422 .583 4 3 7 34 34 ALA 1.414 1.389 1.409 4 1 5 35 35 PRO 1.772 2.299 2.014 4 3 7 36 36 PHE 1.584 1.952 1.827 4 7 11 37 37 PRO .736 .598 .680 4 3 7 38 38 ILE .495 .455 .476 4 4 8 39 39 THR .391 .495 .439 4 3 7 40 40 VAL .287 .812 .574 4 3 7 41 41 ASP .398 1.459 1.070 4 4 8 42 42 LEU .238 .309 .276 4 4 8 43 43 LEU .360 .257 .312 4 4 8 44 44 ASP .788 1.765 1.367 4 4 8 45 45 TYR 1.506 3.816 3.235 4 8 12 46 46 SER 1.991 2.105 2.029 4 2 6 47 47 GLY 1.507 .000 1.507 4 0 4 48 48 ARG 1.187 2.192 1.890 4 7 11 49 49 SER 1.010 1.270 1.103 4 2 6 50 50 TRP .545 .783 .723 4 10 14 51 51 THR .589 1.382 1.008 4 3 7 52 52 VAL .581 .906 .738 4 3 7 53 53 ARG .567 1.238 1.045 4 7 11 54 54 MET .532 .563 .548 4 4 8 55 55 LYS .351 2.117 1.595 4 5 9 56 56 LYS .847 1.030 .953 4 5 9 57 57 ARG 1.462 2.469 2.158 4 7 11 58 58 GLY 1.434 .000 1.434 4 0 4 59 59 GLU 1.428 1.494 1.465 4 5 9 60 60 LYS 1.140 2.054 1.710 4 5 9 61 61 VAL .566 .439 .515 4 3 7 62 62 PHE .324 1.217 .990 4 7 11 63 63 LEU .569 1.159 .913 4 4 8 64 64 THR .545 1.032 .791 4 3 7 65 65 VAL .741 1.539 1.153 4 3 7 66 66 GLY .723 .000 .723 4 0 4 67 67 TRP .673 .706 .697 4 10 14 68 68 GLU .448 1.417 1.098 4 5 9 69 69 ASN .305 .683 .529 4 4 8 70 70 PHE .641 1.591 1.326 4 7 11 71 71 VAL .871 1.051 .952 4 3 7 72 72 LYS .895 1.797 1.466 4 5 9 73 73 ASP .885 1.259 1.088 4 4 8 74 74 ASN 1.516 1.633 1.575 4 4 8 75 75 ASN 1.911 2.169 2.044 4 4 8 76 76 LEU 1.816 2.108 1.967 4 4 8 77 77 GLU 1.447 1.913 1.722 4 5 9 78 78 ASP 1.141 1.536 1.353 4 4 8 79 79 GLY 1.144 .000 1.144 4 0 4 80 80 LYS .911 1.096 1.018 4 5 9 81 81 TYR .699 1.373 1.192 4 8 12 82 82 LEU .481 .864 .699 4 4 8 83 83 GLN .515 1.393 1.094 4 5 9 84 84 PHE .458 1.307 1.079 4 7 11 85 85 ILE .381 .894 .687 4 4 8 86 86 TYR .397 1.470 1.222 4 8 12 87 87 ASP .955 2.286 1.752 4 4 8 88 88 ARG .936 4.189 3.389 4 7 11 89 89 ASP 1.268 2.200 1.795 4 4 8 90 90 ARG 1.279 1.945 1.732 4 7 11 91 91 THR .723 1.587 1.174 4 3 7 92 92 PHE .526 1.205 1.012 4 7 11 93 93 TYR .391 1.383 1.152 4 8 12 94 94 VAL .818 .860 .836 4 3 7 95 95 ILE .971 2.424 1.846 4 4 8 96 96 ILE .849 2.173 1.650 4 4 8 97 97 TYR .703 1.305 1.141 4 8 12 98 98 GLY .948 .000 .948 4 0 4 99 99 HIS 3.104 3.840 3.564 4 6 10 100 100 ASN 3.905 6.595 5.419 4 4 8 101 101 MET 3.275 2.226 2.800 4 4 8 102 102 CYS 3.447 5.351 4.311 3 2 5 ENDMDL Model RMS deviations: 1.3608 1.9680 1.7035 407 440 847 MODEL 3 1 1 MET 6.465 5.815 6.148 4 4 8 2 2 ALA 4.056 4.835 4.223 4 1 5 3 3 ASP 3.910 3.958 3.934 4 4 8 4 4 THR 3.572 4.217 3.862 4 3 7 5 5 GLY 2.019 .000 2.019 4 0 4 6 6 GLU 2.860 3.714 3.361 4 5 9 7 7 VAL 1.952 2.406 2.159 4 3 7 8 8 GLN 1.783 1.655 1.713 4 5 9 9 9 PHE 1.217 2.643 2.232 4 7 11 10 10 MET 1.031 1.786 1.458 4 4 8 11 11 LYS .933 1.269 1.132 4 5 9 12 12 PRO .994 1.270 1.121 4 3 7 13 13 PHE .836 1.687 1.437 4 7 11 14 14 ILE .338 .920 .693 4 4 8 15 15 SER .326 .894 .581 4 2 6 16 16 GLU .161 .926 .698 4 5 9 17 17 LYS .073 1.169 .873 4 5 9 18 18 SER .463 .785 .590 4 2 6 19 19 SER .570 1.672 1.071 4 2 6 20 20 LYS .330 2.021 1.522 4 5 9 21 21 SER .366 1.238 .775 4 2 6 22 22 LEU .482 .911 .729 4 4 8 23 23 GLU .556 1.742 1.350 4 5 9 24 24 ILE .375 .906 .693 4 4 8 25 25 PRO .680 1.384 1.042 4 3 7 26 26 LEU .551 1.754 1.300 4 4 8 27 27 GLY .687 .000 .687 4 0 4 28 28 PHE .651 3.893 3.131 4 7 11 29 29 ASN .523 .784 .666 4 4 8 30 30 GLU .606 2.167 1.665 4 5 9 31 31 TYR 1.325 2.025 1.822 4 8 12 32 32 PHE 1.630 2.516 2.235 4 7 11 33 33 PRO 2.100 1.925 2.027 4 3 7 34 34 ALA 1.822 1.971 1.853 4 1 5 35 35 PRO 1.727 2.368 2.027 4 3 7 36 36 PHE .923 2.902 2.381 4 7 11 37 37 PRO .457 .763 .607 4 3 7 38 38 ILE .488 .333 .418 4 4 8 39 39 THR .432 .702 .563 4 3 7 40 40 VAL .405 .810 .613 4 3 7 41 41 ASP .305 .703 .542 4 4 8 42 42 LEU .138 .783 .562 4 4 8 43 43 LEU .321 .398 .362 4 4 8 44 44 ASP .502 1.091 .849 4 4 8 45 45 TYR .389 3.472 2.844 4 8 12 46 46 SER 1.276 1.112 1.224 4 2 6 47 47 GLY 1.262 .000 1.262 4 0 4 48 48 ARG .643 1.641 1.365 4 7 11 49 49 SER .449 .595 .502 4 2 6 50 50 TRP .563 .869 .794 4 10 14 51 51 THR .438 .436 .437 4 3 7 52 52 VAL .492 1.453 1.022 4 3 7 53 53 ARG .363 1.815 1.464 4 7 11 54 54 MET .642 1.051 .871 4 4 8 55 55 LYS .968 1.173 1.087 4 5 9 56 56 LYS 1.368 1.978 1.734 4 5 9 57 57 ARG .836 .899 .877 4 7 11 58 58 GLY .661 .000 .661 4 0 4 59 59 GLU .976 2.621 2.059 4 5 9 60 60 LYS .692 1.683 1.337 4 5 9 61 61 VAL .649 .874 .754 4 3 7 62 62 PHE .625 1.587 1.321 4 7 11 63 63 LEU .645 .827 .742 4 4 8 64 64 THR .617 .910 .757 4 3 7 65 65 VAL .675 1.181 .927 4 3 7 66 66 GLY .723 .000 .723 4 0 4 67 67 TRP .483 .517 .507 4 10 14 68 68 GLU .424 1.156 .907 4 5 9 69 69 ASN .375 .573 .484 4 4 8 70 70 PHE .472 1.247 1.035 4 7 11 71 71 VAL .443 .681 .557 4 3 7 72 72 LYS .528 .999 .824 4 5 9 73 73 ASP .556 1.476 1.115 4 4 8 74 74 ASN .672 2.094 1.555 4 4 8 75 75 ASN .643 1.346 1.054 4 4 8 76 76 LEU .649 1.081 .892 4 4 8 77 77 GLU .605 2.533 1.931 4 5 9 78 78 ASP .907 1.038 .975 4 4 8 79 79 GLY .770 .000 .770 4 0 4 80 80 LYS .699 1.628 1.300 4 5 9 81 81 TYR .765 3.131 2.595 4 8 12 82 82 LEU .849 1.304 1.100 4 4 8 83 83 GLN .923 2.444 1.923 4 5 9 84 84 PHE .933 1.607 1.400 4 7 11 85 85 ILE 1.069 1.255 1.166 4 4 8 86 86 TYR 1.347 2.083 1.870 4 8 12 87 87 ASP 1.556 1.993 1.788 4 4 8 88 88 ARG 2.298 2.642 2.522 4 7 11 89 89 ASP 1.299 1.573 1.442 4 4 8 90 90 ARG .606 2.406 1.954 4 7 11 91 91 THR .701 .954 .819 4 3 7 92 92 PHE .474 1.417 1.166 4 7 11 93 93 TYR .902 2.148 1.830 4 8 12 94 94 VAL .779 .726 .757 4 3 7 95 95 ILE .954 2.034 1.589 4 4 8 96 96 ILE .513 1.869 1.370 4 4 8 97 97 TYR .947 .945 .946 4 8 12 98 98 GLY 2.042 .000 2.042 4 0 4 99 99 HIS 2.736 4.540 3.919 4 6 10 100 100 ASN 1.951 4.206 3.278 4 4 8 101 101 MET 2.873 4.847 3.985 4 4 8 102 102 CYS 4.791 3.845 4.437 3 2 5 ENDMDL Model RMS deviations: 1.4405 2.1090 1.8187 407 440 847 MODEL 4 1 1 MET 4.962 7.216 6.192 4 4 8 2 2 ALA 3.592 4.699 3.839 4 1 5 3 3 ASP 1.934 2.105 2.021 4 4 8 4 4 THR 3.250 5.222 4.210 4 3 7 5 5 GLY 1.341 .000 1.341 4 0 4 6 6 GLU 1.222 1.391 1.319 4 5 9 7 7 VAL .750 .722 .738 4 3 7 8 8 GLN .622 1.963 1.521 4 5 9 9 9 PHE .493 3.045 2.447 4 7 11 10 10 MET .586 1.167 .924 4 4 8 11 11 LYS .589 1.197 .975 4 5 9 12 12 PRO .370 .585 .475 4 3 7 13 13 PHE .446 3.102 2.489 4 7 11 14 14 ILE .534 1.102 .866 4 4 8 15 15 SER .575 .879 .691 4 2 6 16 16 GLU .452 2.091 1.588 4 5 9 17 17 LYS .406 1.259 .977 4 5 9 18 18 SER .410 .519 .449 4 2 6 19 19 SER .622 1.982 1.252 4 2 6 20 20 LYS .785 2.409 1.870 4 5 9 21 21 SER .321 1.098 .686 4 2 6 22 22 LEU .367 .679 .546 4 4 8 23 23 GLU .494 2.106 1.604 4 5 9 24 24 ILE .352 .587 .484 4 4 8 25 25 PRO .620 1.023 .817 4 3 7 26 26 LEU .560 1.358 1.039 4 4 8 27 27 GLY .697 .000 .697 4 0 4 28 28 PHE .935 2.385 1.985 4 7 11 29 29 ASN .883 1.374 1.155 4 4 8 30 30 GLU .659 2.207 1.702 4 5 9 31 31 TYR .574 1.296 1.109 4 8 12 32 32 PHE .633 1.158 .999 4 7 11 33 33 PRO .479 .520 .497 4 3 7 34 34 ALA .421 .677 .483 4 1 5 35 35 PRO .425 .525 .471 4 3 7 36 36 PHE .384 1.267 1.037 4 7 11 37 37 PRO .344 .862 .621 4 3 7 38 38 ILE .353 .559 .468 4 4 8 39 39 THR .303 .490 .394 4 3 7 40 40 VAL .403 .768 .588 4 3 7 41 41 ASP .492 1.693 1.247 4 4 8 42 42 LEU .575 .411 .500 4 4 8 43 43 LEU .706 .464 .597 4 4 8 44 44 ASP .949 1.454 1.227 4 4 8 45 45 TYR 1.276 2.424 2.112 4 8 12 46 46 SER 1.820 2.879 2.229 4 2 6 47 47 GLY 1.500 .000 1.500 4 0 4 48 48 ARG 1.186 1.728 1.553 4 7 11 49 49 SER .929 .872 .910 4 2 6 50 50 TRP .727 1.424 1.265 4 10 14 51 51 THR .691 .665 .680 4 3 7 52 52 VAL .447 1.020 .749 4 3 7 53 53 ARG .262 1.573 1.265 4 7 11 54 54 MET .852 1.610 1.288 4 4 8 55 55 LYS .666 1.526 1.221 4 5 9 56 56 LYS .531 .855 .729 4 5 9 57 57 ARG 1.073 2.870 2.379 4 7 11 58 58 GLY 1.259 .000 1.259 4 0 4 59 59 GLU .819 2.291 1.793 4 5 9 60 60 LYS .648 1.713 1.348 4 5 9 61 61 VAL .515 .479 .500 4 3 7 62 62 PHE .407 1.233 1.014 4 7 11 63 63 LEU .436 1.728 1.260 4 4 8 64 64 THR .564 1.083 .827 4 3 7 65 65 VAL .814 1.612 1.222 4 3 7 66 66 GLY .867 .000 .867 4 0 4 67 67 TRP .551 .496 .513 4 10 14 68 68 GLU .489 2.533 1.916 4 5 9 69 69 ASN .520 1.089 .853 4 4 8 70 70 PHE .495 1.390 1.149 4 7 11 71 71 VAL .561 .455 .518 4 3 7 72 72 LYS .449 2.920 2.197 4 5 9 73 73 ASP .363 .787 .613 4 4 8 74 74 ASN .982 1.093 1.039 4 4 8 75 75 ASN 1.047 1.403 1.238 4 4 8 76 76 LEU .924 1.242 1.095 4 4 8 77 77 GLU .722 .951 .857 4 5 9 78 78 ASP .622 1.081 .882 4 4 8 79 79 GLY .656 .000 .656 4 0 4 80 80 LYS .633 .810 .737 4 5 9 81 81 TYR .325 1.359 1.125 4 8 12 82 82 LEU .293 1.105 .808 4 4 8 83 83 GLN .352 .756 .611 4 5 9 84 84 PHE .536 1.093 .930 4 7 11 85 85 ILE .652 .464 .566 4 4 8 86 86 TYR .895 1.907 1.641 4 8 12 87 87 ASP 1.428 2.378 1.961 4 4 8 88 88 ARG .862 1.549 1.340 4 7 11 89 89 ASP .710 1.130 .944 4 4 8 90 90 ARG .353 2.378 1.909 4 7 11 91 91 THR .475 .724 .594 4 3 7 92 92 PHE .471 1.097 .920 4 7 11 93 93 TYR .547 1.590 1.336 4 8 12 94 94 VAL .463 .587 .520 4 3 7 95 95 ILE .379 1.704 1.234 4 4 8 96 96 ILE .368 1.164 .863 4 4 8 97 97 TYR .894 1.117 1.048 4 8 12 98 98 GLY 1.870 .000 1.870 4 0 4 99 99 HIS 2.454 4.503 3.818 4 6 10 100 100 ASN 2.502 4.674 3.749 4 4 8 101 101 MET 3.464 4.189 3.844 4 4 8 102 102 CYS 5.236 6.485 5.768 3 2 5 ENDMDL Model RMS deviations: 1.2046 1.9868 1.6577 407 440 847 MODEL 5 1 1 MET 3.520 7.041 5.566 4 4 8 2 2 ALA 4.800 5.397 4.925 4 1 5 3 3 ASP 2.614 1.803 2.245 4 4 8 4 4 THR 2.856 4.721 3.770 4 3 7 5 5 GLY 1.141 .000 1.141 4 0 4 6 6 GLU 1.152 1.827 1.564 4 5 9 7 7 VAL 1.070 1.180 1.119 4 3 7 8 8 GLN 1.156 1.669 1.463 4 5 9 9 9 PHE .948 2.028 1.716 4 7 11 10 10 MET .874 1.220 1.061 4 4 8 11 11 LYS .489 1.400 1.093 4 5 9 12 12 PRO .634 .927 .773 4 3 7 13 13 PHE .929 2.038 1.720 4 7 11 14 14 ILE .752 .961 .863 4 4 8 15 15 SER .936 1.711 1.249 4 2 6 16 16 GLU 1.031 1.118 1.080 4 5 9 17 17 LYS 1.055 1.366 1.237 4 5 9 18 18 SER .807 .631 .753 4 2 6 19 19 SER .993 1.431 1.158 4 2 6 20 20 LYS .664 2.779 2.118 4 5 9 21 21 SER .364 .552 .436 4 2 6 22 22 LEU .806 1.463 1.181 4 4 8 23 23 GLU .884 1.656 1.368 4 5 9 24 24 ILE .907 .969 .939 4 4 8 25 25 PRO 1.101 1.314 1.197 4 3 7 26 26 LEU 1.170 1.565 1.382 4 4 8 27 27 GLY 1.509 .000 1.509 4 0 4 28 28 PHE 1.261 1.292 1.281 4 7 11 29 29 ASN .977 1.085 1.033 4 4 8 30 30 GLU 1.174 2.925 2.316 4 5 9 31 31 TYR 1.235 1.462 1.391 4 8 12 32 32 PHE 1.176 1.247 1.222 4 7 11 33 33 PRO 1.136 1.294 1.206 4 3 7 34 34 ALA 1.059 1.133 1.074 4 1 5 35 35 PRO 1.016 .948 .988 4 3 7 36 36 PHE .910 2.207 1.844 4 7 11 37 37 PRO 1.017 1.430 1.212 4 3 7 38 38 ILE .903 .802 .854 4 4 8 39 39 THR .433 .640 .531 4 3 7 40 40 VAL .342 1.135 .787 4 3 7 41 41 ASP .186 .917 .662 4 4 8 42 42 LEU .119 .136 .128 4 4 8 43 43 LEU .246 .250 .248 4 4 8 44 44 ASP .531 1.213 .937 4 4 8 45 45 TYR .822 2.225 1.878 4 8 12 46 46 SER 1.242 1.028 1.175 4 2 6 47 47 GLY 1.019 .000 1.019 4 0 4 48 48 ARG .750 4.342 3.493 4 7 11 49 49 SER .639 .779 .689 4 2 6 50 50 TRP .234 .294 .279 4 10 14 51 51 THR .324 .479 .398 4 3 7 52 52 VAL .355 1.445 .983 4 3 7 53 53 ARG .278 2.193 1.757 4 7 11 54 54 MET .408 .940 .725 4 4 8 55 55 LYS .414 3.204 2.404 4 5 9 56 56 LYS .883 .906 .895 4 5 9 57 57 ARG .740 3.144 2.548 4 7 11 58 58 GLY .429 .000 .429 4 0 4 59 59 GLU .384 1.550 1.183 4 5 9 60 60 LYS .412 1.240 .964 4 5 9 61 61 VAL .426 .537 .476 4 3 7 62 62 PHE .228 1.344 1.081 4 7 11 63 63 LEU .282 .767 .578 4 4 8 64 64 THR .250 .642 .461 4 3 7 65 65 VAL .209 1.416 .940 4 3 7 66 66 GLY .198 .000 .198 4 0 4 67 67 TRP .229 .311 .290 4 10 14 68 68 GLU .444 1.384 1.074 4 5 9 69 69 ASN .487 .859 .699 4 4 8 70 70 PHE .295 .935 .767 4 7 11 71 71 VAL .490 .842 .664 4 3 7 72 72 LYS .678 2.733 2.086 4 5 9 73 73 ASP .750 1.275 1.046 4 4 8 74 74 ASN .915 .816 .867 4 4 8 75 75 ASN .958 1.417 1.210 4 4 8 76 76 LEU .805 1.000 .908 4 4 8 77 77 GLU .736 1.912 1.507 4 5 9 78 78 ASP .683 1.515 1.175 4 4 8 79 79 GLY .850 .000 .850 4 0 4 80 80 LYS .265 1.276 .967 4 5 9 81 81 TYR .264 1.376 1.134 4 8 12 82 82 LEU .449 .848 .679 4 4 8 83 83 GLN .521 2.385 1.811 4 5 9 84 84 PHE .533 1.258 1.054 4 7 11 85 85 ILE .539 1.125 .882 4 4 8 86 86 TYR .381 3.479 2.849 4 8 12 87 87 ASP .742 1.513 1.192 4 4 8 88 88 ARG .767 2.706 2.208 4 7 11 89 89 ASP .461 1.260 .949 4 4 8 90 90 ARG .524 3.705 2.972 4 7 11 91 91 THR .506 .890 .697 4 3 7 92 92 PHE .381 1.490 1.211 4 7 11 93 93 TYR .333 4.437 3.628 4 8 12 94 94 VAL .351 .486 .414 4 3 7 95 95 ILE .387 2.333 1.672 4 4 8 96 96 ILE .278 1.166 .848 4 4 8 97 97 TYR .756 1.174 1.053 4 8 12 98 98 GLY 1.694 .000 1.694 4 0 4 99 99 HIS 3.097 2.678 2.853 4 6 10 100 100 ASN 4.044 6.400 5.353 4 4 8 101 101 MET 3.731 3.145 3.451 4 4 8 102 102 CYS 5.271 7.220 6.126 3 2 5 ENDMDL Model RMS deviations: 1.2790 2.1705 1.7981 407 440 847 MODEL 6 1 1 MET 3.620 1.778 2.852 4 4 8 2 2 ALA 2.614 3.536 2.823 4 1 5 3 3 ASP 1.362 1.857 1.629 4 4 8 4 4 THR 2.884 4.027 3.421 4 3 7 5 5 GLY 2.604 .000 2.604 4 0 4 6 6 GLU 1.072 1.025 1.046 4 5 9 7 7 VAL .794 1.030 .903 4 3 7 8 8 GLN .671 1.569 1.253 4 5 9 9 9 PHE .549 1.641 1.350 4 7 11 10 10 MET .813 1.739 1.357 4 4 8 11 11 LYS 1.034 1.515 1.323 4 5 9 12 12 PRO 1.015 1.472 1.232 4 3 7 13 13 PHE .706 1.300 1.121 4 7 11 14 14 ILE .588 .939 .783 4 4 8 15 15 SER .372 .915 .609 4 2 6 16 16 GLU .575 1.088 .897 4 5 9 17 17 LYS 1.009 .973 .989 4 5 9 18 18 SER .765 .653 .729 4 2 6 19 19 SER .790 .969 .854 4 2 6 20 20 LYS .743 3.215 2.447 4 5 9 21 21 SER .524 .584 .544 4 2 6 22 22 LEU .556 1.327 1.017 4 4 8 23 23 GLU .522 1.409 1.106 4 5 9 24 24 ILE .644 .822 .739 4 4 8 25 25 PRO .727 .774 .748 4 3 7 26 26 LEU .701 1.400 1.107 4 4 8 27 27 GLY .732 .000 .732 4 0 4 28 28 PHE .612 1.403 1.178 4 7 11 29 29 ASN .663 .755 .710 4 4 8 30 30 GLU 1.061 1.795 1.513 4 5 9 31 31 TYR 1.071 1.204 1.161 4 8 12 32 32 PHE 1.096 1.115 1.108 4 7 11 33 33 PRO .956 1.128 1.033 4 3 7 34 34 ALA .580 .880 .651 4 1 5 35 35 PRO .372 .702 .539 4 3 7 36 36 PHE .606 2.276 1.852 4 7 11 37 37 PRO .273 .669 .484 4 3 7 38 38 ILE .632 .693 .663 4 4 8 39 39 THR .531 .629 .575 4 3 7 40 40 VAL .561 1.055 .810 4 3 7 41 41 ASP .556 .987 .801 4 4 8 42 42 LEU .653 1.755 1.324 4 4 8 43 43 LEU .891 .643 .777 4 4 8 44 44 ASP 1.176 1.348 1.265 4 4 8 45 45 TYR 1.996 2.420 2.287 4 8 12 46 46 SER 1.604 1.894 1.706 4 2 6 47 47 GLY 1.275 .000 1.275 4 0 4 48 48 ARG .694 1.835 1.523 4 7 11 49 49 SER .297 .279 .291 4 2 6 50 50 TRP .414 .889 .783 4 10 14 51 51 THR .647 .721 .680 4 3 7 52 52 VAL .391 .831 .619 4 3 7 53 53 ARG .385 1.144 .941 4 7 11 54 54 MET .700 .923 .819 4 4 8 55 55 LYS .550 1.245 .998 4 5 9 56 56 LYS .705 1.340 1.104 4 5 9 57 57 ARG 1.148 2.410 2.044 4 7 11 58 58 GLY .993 .000 .993 4 0 4 59 59 GLU 1.105 2.552 2.040 4 5 9 60 60 LYS .855 1.489 1.247 4 5 9 61 61 VAL .562 .581 .570 4 3 7 62 62 PHE .440 1.074 .897 4 7 11 63 63 LEU .600 1.030 .843 4 4 8 64 64 THR .698 1.072 .878 4 3 7 65 65 VAL .790 1.690 1.257 4 3 7 66 66 GLY .538 .000 .538 4 0 4 67 67 TRP .477 .305 .363 4 10 14 68 68 GLU .611 .884 .775 4 5 9 69 69 ASN .647 .711 .680 4 4 8 70 70 PHE .526 .992 .852 4 7 11 71 71 VAL .577 .608 .591 4 3 7 72 72 LYS .961 2.877 2.238 4 5 9 73 73 ASP 1.141 1.564 1.369 4 4 8 74 74 ASN 1.223 1.680 1.469 4 4 8 75 75 ASN 1.117 2.294 1.804 4 4 8 76 76 LEU .873 1.132 1.011 4 4 8 77 77 GLU 1.042 2.645 2.090 4 5 9 78 78 ASP .978 1.072 1.026 4 4 8 79 79 GLY 1.393 .000 1.393 4 0 4 80 80 LYS .969 2.022 1.640 4 5 9 81 81 TYR .680 1.278 1.115 4 8 12 82 82 LEU .513 1.295 .985 4 4 8 83 83 GLN .419 1.834 1.396 4 5 9 84 84 PHE .391 .858 .724 4 7 11 85 85 ILE .348 .663 .529 4 4 8 86 86 TYR .819 1.749 1.504 4 8 12 87 87 ASP 1.548 1.650 1.600 4 4 8 88 88 ARG 2.139 1.797 1.928 4 7 11 89 89 ASP 1.439 1.280 1.362 4 4 8 90 90 ARG 1.241 2.753 2.320 4 7 11 91 91 THR .327 .801 .580 4 3 7 92 92 PHE .626 1.194 1.024 4 7 11 93 93 TYR .720 1.690 1.441 4 8 12 94 94 VAL .760 .785 .771 4 3 7 95 95 ILE .672 1.002 .853 4 4 8 96 96 ILE .495 1.327 1.001 4 4 8 97 97 TYR .417 .917 .786 4 8 12 98 98 GLY 1.339 .000 1.339 4 0 4 99 99 HIS 1.869 3.436 2.913 4 6 10 100 100 ASN 3.244 5.905 4.764 4 4 8 101 101 MET 3.908 6.238 5.205 4 4 8 102 102 CYS 2.532 1.910 2.304 3 2 5 ENDMDL Model RMS deviations: 1.1715 1.7694 1.5119 407 440 847 MODEL 7 1 1 MET 7.304 7.119 7.212 4 4 8 2 2 ALA 4.858 5.422 4.976 4 1 5 3 3 ASP 2.274 3.252 2.806 4 4 8 4 4 THR 1.559 3.270 2.444 4 3 7 5 5 GLY 1.802 .000 1.802 4 0 4 6 6 GLU 2.086 2.128 2.109 4 5 9 7 7 VAL 1.294 1.547 1.408 4 3 7 8 8 GLN 1.019 1.635 1.395 4 5 9 9 9 PHE .558 1.942 1.585 4 7 11 10 10 MET .681 1.186 .967 4 4 8 11 11 LYS .979 1.186 1.099 4 5 9 12 12 PRO .954 1.303 1.117 4 3 7 13 13 PHE .586 1.078 .930 4 7 11 14 14 ILE .363 .467 .418 4 4 8 15 15 SER .721 1.047 .844 4 2 6 16 16 GLU .952 1.344 1.186 4 5 9 17 17 LYS .700 2.259 1.747 4 5 9 18 18 SER .278 .668 .447 4 2 6 19 19 SER .533 1.660 1.053 4 2 6 20 20 LYS .382 1.296 .999 4 5 9 21 21 SER .431 1.098 .725 4 2 6 22 22 LEU .352 1.159 .857 4 4 8 23 23 GLU .403 2.860 2.149 4 5 9 24 24 ILE .307 .475 .400 4 4 8 25 25 PRO .352 .525 .435 4 3 7 26 26 LEU .585 1.700 1.271 4 4 8 27 27 GLY .941 .000 .941 4 0 4 28 28 PHE .763 2.507 2.052 4 7 11 29 29 ASN .836 1.428 1.170 4 4 8 30 30 GLU 1.562 2.262 1.982 4 5 9 31 31 TYR 1.298 1.827 1.669 4 8 12 32 32 PHE 1.183 1.817 1.616 4 7 11 33 33 PRO 1.628 1.631 1.629 4 3 7 34 34 ALA 1.580 1.793 1.624 4 1 5 35 35 PRO 1.142 1.615 1.365 4 3 7 36 36 PHE .660 2.404 1.959 4 7 11 37 37 PRO .442 .464 .451 4 3 7 38 38 ILE .862 .812 .837 4 4 8 39 39 THR .724 .861 .786 4 3 7 40 40 VAL .744 .924 .826 4 3 7 41 41 ASP .787 1.898 1.452 4 4 8 42 42 LEU .740 .671 .707 4 4 8 43 43 LEU .828 .710 .771 4 4 8 44 44 ASP .827 1.612 1.281 4 4 8 45 45 TYR .894 1.204 1.110 4 8 12 46 46 SER 1.664 2.604 2.027 4 2 6 47 47 GLY 1.766 .000 1.766 4 0 4 48 48 ARG 1.394 4.543 3.720 4 7 11 49 49 SER 1.123 1.405 1.224 4 2 6 50 50 TRP .832 .631 .694 4 10 14 51 51 THR .826 .975 .893 4 3 7 52 52 VAL .793 .867 .825 4 3 7 53 53 ARG .598 3.444 2.771 4 7 11 54 54 MET .865 1.899 1.476 4 4 8 55 55 LYS .818 2.027 1.606 4 5 9 56 56 LYS .637 1.500 1.196 4 5 9 57 57 ARG .972 3.225 2.638 4 7 11 58 58 GLY .943 .000 .943 4 0 4 59 59 GLU .527 1.560 1.214 4 5 9 60 60 LYS .302 2.101 1.579 4 5 9 61 61 VAL .288 .299 .293 4 3 7 62 62 PHE .316 2.858 2.288 4 7 11 63 63 LEU .631 .677 .654 4 4 8 64 64 THR .578 1.252 .929 4 3 7 65 65 VAL .790 1.490 1.144 4 3 7 66 66 GLY .706 .000 .706 4 0 4 67 67 TRP .473 .455 .460 4 10 14 68 68 GLU .211 .906 .690 4 5 9 69 69 ASN .379 .868 .670 4 4 8 70 70 PHE .517 1.242 1.039 4 7 11 71 71 VAL .529 1.686 1.174 4 3 7 72 72 LYS .401 2.306 1.739 4 5 9 73 73 ASP .629 .878 .764 4 4 8 74 74 ASN .998 .829 .918 4 4 8 75 75 ASN 1.088 1.102 1.095 4 4 8 76 76 LEU 1.086 1.184 1.136 4 4 8 77 77 GLU .933 1.136 1.050 4 5 9 78 78 ASP .766 1.650 1.287 4 4 8 79 79 GLY .570 .000 .570 4 0 4 80 80 LYS .502 2.499 1.892 4 5 9 81 81 TYR .498 .718 .653 4 8 12 82 82 LEU .398 1.206 .898 4 4 8 83 83 GLN .423 .919 .741 4 5 9 84 84 PHE .627 1.285 1.093 4 7 11 85 85 ILE .756 .797 .777 4 4 8 86 86 TYR .769 2.151 1.812 4 8 12 87 87 ASP 1.271 1.798 1.557 4 4 8 88 88 ARG 1.475 1.403 1.430 4 7 11 89 89 ASP 1.113 1.509 1.326 4 4 8 90 90 ARG 1.362 2.792 2.374 4 7 11 91 91 THR 1.035 1.766 1.396 4 3 7 92 92 PHE .720 1.152 1.016 4 7 11 93 93 TYR .674 3.611 2.974 4 8 12 94 94 VAL .450 .643 .541 4 3 7 95 95 ILE .443 .897 .707 4 4 8 96 96 ILE .718 1.159 .964 4 4 8 97 97 TYR 1.539 1.871 1.768 4 8 12 98 98 GLY 1.720 .000 1.720 4 0 4 99 99 HIS 1.626 2.111 1.931 4 6 10 100 100 ASN 2.468 4.116 3.394 4 4 8 101 101 MET 4.111 5.310 4.748 4 4 8 102 102 CYS 6.039 6.074 6.053 3 2 5 ENDMDL Model RMS deviations: 1.4573 2.1036 1.8219 407 440 847 MODEL 8 1 1 MET 10.251 10.892 10.576 4 4 8 2 2 ALA 8.817 11.360 9.381 4 1 5 3 3 ASP 5.867 6.011 5.939 4 4 8 4 4 THR 4.291 6.057 5.123 4 3 7 5 5 GLY 1.424 .000 1.424 4 0 4 6 6 GLU .707 1.634 1.306 4 5 9 7 7 VAL .792 .715 .760 4 3 7 8 8 GLN 1.303 2.501 2.056 4 5 9 9 9 PHE 1.225 2.238 1.932 4 7 11 10 10 MET 1.230 1.983 1.650 4 4 8 11 11 LYS .598 1.245 1.010 4 5 9 12 12 PRO .436 1.083 .782 4 3 7 13 13 PHE .305 3.520 2.814 4 7 11 14 14 ILE .290 .859 .641 4 4 8 15 15 SER .856 1.021 .914 4 2 6 16 16 GLU .954 1.947 1.585 4 5 9 17 17 LYS .443 1.766 1.349 4 5 9 18 18 SER .593 1.156 .825 4 2 6 19 19 SER .827 .821 .825 4 2 6 20 20 LYS .743 3.679 2.786 4 5 9 21 21 SER .755 1.483 1.055 4 2 6 22 22 LEU .784 1.532 1.217 4 4 8 23 23 GLU 1.252 1.463 1.373 4 5 9 24 24 ILE 1.291 1.189 1.241 4 4 8 25 25 PRO 1.323 1.752 1.522 4 3 7 26 26 LEU 1.012 1.945 1.550 4 4 8 27 27 GLY .972 .000 .972 4 0 4 28 28 PHE .842 2.051 1.713 4 7 11 29 29 ASN .788 1.352 1.107 4 4 8 30 30 GLU 1.444 2.506 2.101 4 5 9 31 31 TYR 1.293 1.361 1.339 4 8 12 32 32 PHE 1.485 1.691 1.619 4 7 11 33 33 PRO 1.558 1.449 1.512 4 3 7 34 34 ALA 1.493 1.850 1.571 4 1 5 35 35 PRO 1.126 1.293 1.200 4 3 7 36 36 PHE .849 1.464 1.275 4 7 11 37 37 PRO .951 1.003 .973 4 3 7 38 38 ILE .844 1.075 .966 4 4 8 39 39 THR .649 .704 .673 4 3 7 40 40 VAL .426 1.130 .807 4 3 7 41 41 ASP .392 .693 .563 4 4 8 42 42 LEU .616 .625 .621 4 4 8 43 43 LEU .864 1.593 1.281 4 4 8 44 44 ASP 1.294 1.855 1.599 4 4 8 45 45 TYR 1.775 2.008 1.933 4 8 12 46 46 SER 1.964 2.567 2.183 4 2 6 47 47 GLY 1.088 .000 1.088 4 0 4 48 48 ARG 1.172 4.312 3.511 4 7 11 49 49 SER .785 .709 .760 4 2 6 50 50 TRP .576 1.300 1.141 4 10 14 51 51 THR .519 .417 .478 4 3 7 52 52 VAL .514 1.437 1.018 4 3 7 53 53 ARG .902 1.719 1.475 4 7 11 54 54 MET 1.073 1.163 1.119 4 4 8 55 55 LYS 1.367 2.916 2.357 4 5 9 56 56 LYS 1.164 1.757 1.523 4 5 9 57 57 ARG 1.054 1.125 1.100 4 7 11 58 58 GLY 1.878 .000 1.878 4 0 4 59 59 GLU 1.952 3.466 2.893 4 5 9 60 60 LYS 1.851 3.761 3.063 4 5 9 61 61 VAL 1.294 1.131 1.227 4 3 7 62 62 PHE .684 2.212 1.812 4 7 11 63 63 LEU .772 1.144 .976 4 4 8 64 64 THR 1.001 1.290 1.134 4 3 7 65 65 VAL 1.070 1.665 1.358 4 3 7 66 66 GLY .540 .000 .540 4 0 4 67 67 TRP .411 .336 .359 4 10 14 68 68 GLU .856 2.090 1.659 4 5 9 69 69 ASN .801 1.301 1.080 4 4 8 70 70 PHE .541 1.049 .898 4 7 11 71 71 VAL .617 1.401 1.029 4 3 7 72 72 LYS .990 2.742 2.148 4 5 9 73 73 ASP .986 2.652 2.000 4 4 8 74 74 ASN .806 1.097 .963 4 4 8 75 75 ASN .876 1.604 1.292 4 4 8 76 76 LEU .860 .772 .817 4 4 8 77 77 GLU .482 1.473 1.144 4 5 9 78 78 ASP .570 1.984 1.459 4 4 8 79 79 GLY .934 .000 .934 4 0 4 80 80 LYS 1.034 1.778 1.494 4 5 9 81 81 TYR 1.267 1.263 1.264 4 8 12 82 82 LEU 1.393 1.619 1.510 4 4 8 83 83 GLN 1.093 2.700 2.141 4 5 9 84 84 PHE 1.080 1.188 1.150 4 7 11 85 85 ILE 1.080 1.524 1.321 4 4 8 86 86 TYR .880 2.204 1.870 4 8 12 87 87 ASP .890 2.680 1.997 4 4 8 88 88 ARG .545 3.056 2.460 4 7 11 89 89 ASP 1.332 3.206 2.455 4 4 8 90 90 ARG 1.025 2.299 1.935 4 7 11 91 91 THR .847 1.647 1.254 4 3 7 92 92 PHE .641 1.030 .908 4 7 11 93 93 TYR .832 1.791 1.539 4 8 12 94 94 VAL .898 .507 .756 4 3 7 95 95 ILE 1.288 1.983 1.672 4 4 8 96 96 ILE 1.247 1.234 1.241 4 4 8 97 97 TYR 1.667 1.306 1.437 4 8 12 98 98 GLY 2.962 .000 2.962 4 0 4 99 99 HIS 2.636 4.477 3.848 4 6 10 100 100 ASN 2.246 4.642 3.646 4 4 8 101 101 MET 3.630 6.220 5.092 4 4 8 102 102 CYS 6.195 7.831 6.896 3 2 5 ENDMDL Model RMS deviations: 1.9830 2.5640 2.3032 407 440 847 MODEL 9 1 1 MET 9.678 9.117 9.402 4 4 8 2 2 ALA 7.318 8.165 7.495 4 1 5 3 3 ASP 3.896 3.717 3.808 4 4 8 4 4 THR 1.759 3.887 2.871 4 3 7 5 5 GLY 2.205 .000 2.205 4 0 4 6 6 GLU 2.286 3.556 3.057 4 5 9 7 7 VAL 1.638 2.118 1.859 4 3 7 8 8 GLN 1.384 1.124 1.246 4 5 9 9 9 PHE .976 1.379 1.247 4 7 11 10 10 MET 1.032 .842 .942 4 4 8 11 11 LYS .872 1.899 1.530 4 5 9 12 12 PRO .938 1.200 1.058 4 3 7 13 13 PHE .971 1.301 1.192 4 7 11 14 14 ILE 1.076 1.596 1.361 4 4 8 15 15 SER 1.174 2.164 1.575 4 2 6 16 16 GLU 1.093 .911 .996 4 5 9 17 17 LYS 1.317 1.247 1.279 4 5 9 18 18 SER .919 1.122 .991 4 2 6 19 19 SER .946 .878 .924 4 2 6 20 20 LYS .814 1.654 1.347 4 5 9 21 21 SER .468 1.053 .718 4 2 6 22 22 LEU .639 1.644 1.247 4 4 8 23 23 GLU .754 2.590 1.995 4 5 9 24 24 ILE .599 .989 .818 4 4 8 25 25 PRO .528 1.015 .775 4 3 7 26 26 LEU .355 1.990 1.430 4 4 8 27 27 GLY .438 .000 .438 4 0 4 28 28 PHE .398 1.646 1.335 4 7 11 29 29 ASN .505 .989 .785 4 4 8 30 30 GLU 1.634 1.547 1.586 4 5 9 31 31 TYR 1.725 1.968 1.890 4 8 12 32 32 PHE 1.520 1.591 1.566 4 7 11 33 33 PRO 1.414 1.692 1.539 4 3 7 34 34 ALA 1.080 .850 1.038 4 1 5 35 35 PRO .771 .808 .787 4 3 7 36 36 PHE .628 1.910 1.570 4 7 11 37 37 PRO .527 .563 .543 4 3 7 38 38 ILE .555 .719 .642 4 4 8 39 39 THR .600 1.312 .971 4 3 7 40 40 VAL .649 .895 .765 4 3 7 41 41 ASP .608 1.439 1.104 4 4 8 42 42 LEU .561 .341 .464 4 4 8 43 43 LEU .849 1.627 1.298 4 4 8 44 44 ASP 1.255 1.145 1.201 4 4 8 45 45 TYR 2.068 5.110 4.340 4 8 12 46 46 SER 1.101 1.200 1.135 4 2 6 47 47 GLY 1.771 .000 1.771 4 0 4 48 48 ARG .973 1.888 1.617 4 7 11 49 49 SER 1.100 1.712 1.336 4 2 6 50 50 TRP .662 .879 .823 4 10 14 51 51 THR .548 .862 .700 4 3 7 52 52 VAL .559 1.494 1.065 4 3 7 53 53 ARG .975 2.974 2.444 4 7 11 54 54 MET 1.332 1.203 1.269 4 4 8 55 55 LYS 1.268 2.590 2.107 4 5 9 56 56 LYS .961 .783 .867 4 5 9 57 57 ARG .985 4.049 3.284 4 7 11 58 58 GLY 1.100 .000 1.100 4 0 4 59 59 GLU .836 1.984 1.580 4 5 9 60 60 LYS 1.333 1.854 1.643 4 5 9 61 61 VAL 1.211 1.440 1.314 4 3 7 62 62 PHE .968 1.587 1.394 4 7 11 63 63 LEU .739 1.292 1.053 4 4 8 64 64 THR 1.110 1.608 1.346 4 3 7 65 65 VAL .980 1.598 1.282 4 3 7 66 66 GLY .951 .000 .951 4 0 4 67 67 TRP .527 .465 .483 4 10 14 68 68 GLU .330 1.601 1.213 4 5 9 69 69 ASN .653 .952 .816 4 4 8 70 70 PHE .603 1.211 1.032 4 7 11 71 71 VAL .692 .640 .670 4 3 7 72 72 LYS .876 2.782 2.154 4 5 9 73 73 ASP .925 1.411 1.193 4 4 8 74 74 ASN .926 1.540 1.271 4 4 8 75 75 ASN .895 1.228 1.075 4 4 8 76 76 LEU 1.186 1.706 1.470 4 4 8 77 77 GLU 1.283 2.574 2.101 4 5 9 78 78 ASP 1.220 1.252 1.236 4 4 8 79 79 GLY 1.289 .000 1.289 4 0 4 80 80 LYS .946 .933 .939 4 5 9 81 81 TYR .757 1.460 1.269 4 8 12 82 82 LEU .613 1.279 1.003 4 4 8 83 83 GLN .401 1.650 1.259 4 5 9 84 84 PHE .649 .827 .767 4 7 11 85 85 ILE .902 .825 .864 4 4 8 86 86 TYR 1.266 2.461 2.138 4 8 12 87 87 ASP 1.226 2.066 1.699 4 4 8 88 88 ARG 1.008 1.127 1.085 4 7 11 89 89 ASP .671 1.199 .972 4 4 8 90 90 ARG .402 2.321 1.867 4 7 11 91 91 THR .832 1.033 .924 4 3 7 92 92 PHE .732 1.294 1.123 4 7 11 93 93 TYR .691 1.795 1.519 4 8 12 94 94 VAL .485 .518 .500 4 3 7 95 95 ILE .321 1.375 .998 4 4 8 96 96 ILE .839 1.177 1.022 4 4 8 97 97 TYR 1.814 2.127 2.028 4 8 12 98 98 GLY 2.739 .000 2.739 4 0 4 99 99 HIS 2.255 3.898 3.339 4 6 10 100 100 ASN 2.250 2.292 2.271 4 4 8 101 101 MET 2.759 5.125 4.116 4 4 8 102 102 CYS 4.663 5.353 4.951 3 2 5 ENDMDL Model RMS deviations: 1.7347 2.2075 1.9943 407 440 847 MODEL 10 1 1 MET 10.378 9.837 10.111 4 4 8 2 2 ALA 8.318 6.692 8.019 4 1 5 3 3 ASP 6.553 8.869 7.797 4 4 8 4 4 THR 4.298 5.964 5.079 4 3 7 5 5 GLY 1.732 .000 1.732 4 0 4 6 6 GLU .496 1.017 .827 4 5 9 7 7 VAL .685 .569 .638 4 3 7 8 8 GLN .912 1.710 1.412 4 5 9 9 9 PHE .860 2.342 1.939 4 7 11 10 10 MET .817 1.223 1.040 4 4 8 11 11 LYS 1.260 1.097 1.172 4 5 9 12 12 PRO 1.415 1.905 1.643 4 3 7 13 13 PHE .893 .972 .944 4 7 11 14 14 ILE .868 .835 .851 4 4 8 15 15 SER 1.141 .957 1.083 4 2 6 16 16 GLU 1.206 1.024 1.108 4 5 9 17 17 LYS 1.256 1.201 1.226 4 5 9 18 18 SER 1.141 1.997 1.482 4 2 6 19 19 SER 1.051 1.843 1.367 4 2 6 20 20 LYS 1.094 3.715 2.864 4 5 9 21 21 SER .911 1.887 1.319 4 2 6 22 22 LEU .727 1.452 1.148 4 4 8 23 23 GLU 1.048 3.144 2.446 4 5 9 24 24 ILE 1.056 .953 1.006 4 4 8 25 25 PRO 1.006 .923 .971 4 3 7 26 26 LEU .903 1.701 1.361 4 4 8 27 27 GLY 1.126 .000 1.126 4 0 4 28 28 PHE 1.037 2.177 1.846 4 7 11 29 29 ASN 1.091 1.490 1.306 4 4 8 30 30 GLU 1.403 3.164 2.537 4 5 9 31 31 TYR 1.288 1.897 1.718 4 8 12 32 32 PHE 1.064 1.373 1.269 4 7 11 33 33 PRO 2.166 2.604 2.364 4 3 7 34 34 ALA 2.190 1.851 2.126 4 1 5 35 35 PRO 2.221 2.927 2.548 4 3 7 36 36 PHE 1.385 1.486 1.450 4 7 11 37 37 PRO .631 .728 .675 4 3 7 38 38 ILE .878 1.247 1.078 4 4 8 39 39 THR .898 .995 .941 4 3 7 40 40 VAL .826 1.294 1.052 4 3 7 41 41 ASP .800 1.168 1.001 4 4 8 42 42 LEU .835 .904 .870 4 4 8 43 43 LEU 1.245 1.210 1.228 4 4 8 44 44 ASP 1.723 2.124 1.934 4 4 8 45 45 TYR 2.023 2.309 2.218 4 8 12 46 46 SER 1.784 1.086 1.586 4 2 6 47 47 GLY 2.038 .000 2.038 4 0 4 48 48 ARG 1.254 3.075 2.567 4 7 11 49 49 SER 1.088 1.287 1.158 4 2 6 50 50 TRP .712 .517 .579 4 10 14 51 51 THR .840 1.148 .984 4 3 7 52 52 VAL .663 .819 .734 4 3 7 53 53 ARG .553 1.966 1.603 4 7 11 54 54 MET .546 .618 .583 4 4 8 55 55 LYS .662 2.166 1.673 4 5 9 56 56 LYS .834 2.571 1.995 4 5 9 57 57 ARG .896 2.638 2.173 4 7 11 58 58 GLY 1.488 .000 1.488 4 0 4 59 59 GLU 1.926 4.020 3.260 4 5 9 60 60 LYS .855 1.486 1.246 4 5 9 61 61 VAL .572 .540 .558 4 3 7 62 62 PHE .498 3.155 2.535 4 7 11 63 63 LEU .571 .708 .643 4 4 8 64 64 THR .729 1.129 .922 4 3 7 65 65 VAL .875 1.418 1.140 4 3 7 66 66 GLY .787 .000 .787 4 0 4 67 67 TRP .461 .552 .528 4 10 14 68 68 GLU .740 1.249 1.053 4 5 9 69 69 ASN .604 1.060 .863 4 4 8 70 70 PHE .440 .957 .808 4 7 11 71 71 VAL .504 .982 .747 4 3 7 72 72 LYS .491 1.587 1.228 4 5 9 73 73 ASP .543 .962 .781 4 4 8 74 74 ASN .709 1.160 .961 4 4 8 75 75 ASN .583 1.018 .830 4 4 8 76 76 LEU .742 1.169 .979 4 4 8 77 77 GLU .808 2.297 1.795 4 5 9 78 78 ASP .882 1.611 1.299 4 4 8 79 79 GLY .978 .000 .978 4 0 4 80 80 LYS .852 .895 .876 4 5 9 81 81 TYR .992 3.577 2.976 4 8 12 82 82 LEU .870 .799 .835 4 4 8 83 83 GLN .965 1.123 1.056 4 5 9 84 84 PHE 1.108 1.634 1.465 4 7 11 85 85 ILE 1.115 .980 1.050 4 4 8 86 86 TYR .888 1.799 1.556 4 8 12 87 87 ASP 1.360 1.038 1.210 4 4 8 88 88 ARG 1.131 1.170 1.156 4 7 11 89 89 ASP .675 1.266 1.014 4 4 8 90 90 ARG .273 1.951 1.565 4 7 11 91 91 THR .349 .563 .453 4 3 7 92 92 PHE .647 1.204 1.037 4 7 11 93 93 TYR .895 1.633 1.430 4 8 12 94 94 VAL 1.022 1.214 1.108 4 3 7 95 95 ILE .844 .966 .907 4 4 8 96 96 ILE .721 1.645 1.270 4 4 8 97 97 TYR .924 1.705 1.491 4 8 12 98 98 GLY 1.349 .000 1.349 4 0 4 99 99 HIS 2.185 5.570 4.530 4 6 10 100 100 ASN 4.075 7.002 5.729 4 4 8 101 101 MET 6.776 6.270 6.528 4 4 8 102 102 CYS 10.332 11.530 10.827 3 2 5 ENDMDL Model RMS deviations: 2.2025 2.6057 2.4203 407 440 847 MODEL 11 1 1 MET 5.363 7.198 6.347 4 4 8 2 2 ALA 3.693 3.335 3.624 4 1 5 3 3 ASP 2.369 2.685 2.532 4 4 8 4 4 THR 4.312 6.648 5.437 4 3 7 5 5 GLY 2.826 .000 2.826 4 0 4 6 6 GLU 1.574 2.477 2.124 4 5 9 7 7 VAL .825 .893 .855 4 3 7 8 8 GLN .508 1.496 1.165 4 5 9 9 9 PHE .518 1.346 1.118 4 7 11 10 10 MET .748 1.495 1.182 4 4 8 11 11 LYS .691 1.503 1.211 4 5 9 12 12 PRO .333 .457 .391 4 3 7 13 13 PHE .544 1.561 1.288 4 7 11 14 14 ILE .614 2.149 1.580 4 4 8 15 15 SER .711 1.291 .945 4 2 6 16 16 GLU .342 2.001 1.509 4 5 9 17 17 LYS .347 2.513 1.888 4 5 9 18 18 SER .402 .646 .497 4 2 6 19 19 SER .553 .911 .693 4 2 6 20 20 LYS .461 2.519 1.903 4 5 9 21 21 SER .510 .961 .693 4 2 6 22 22 LEU .437 .684 .574 4 4 8 23 23 GLU .486 1.764 1.354 4 5 9 24 24 ILE .652 1.383 1.081 4 4 8 25 25 PRO .943 1.386 1.154 4 3 7 26 26 LEU .761 1.774 1.365 4 4 8 27 27 GLY .730 .000 .730 4 0 4 28 28 PHE .585 2.299 1.867 4 7 11 29 29 ASN .427 2.451 1.759 4 4 8 30 30 GLU .644 1.124 .941 4 5 9 31 31 TYR .776 1.640 1.412 4 8 12 32 32 PHE .983 2.495 2.077 4 7 11 33 33 PRO 1.145 1.466 1.292 4 3 7 34 34 ALA .855 1.249 .947 4 1 5 35 35 PRO .999 1.080 1.034 4 3 7 36 36 PHE 1.024 1.690 1.483 4 7 11 37 37 PRO .944 1.019 .977 4 3 7 38 38 ILE 1.005 1.094 1.050 4 4 8 39 39 THR .886 .714 .817 4 3 7 40 40 VAL .884 1.295 1.079 4 3 7 41 41 ASP .582 1.371 1.053 4 4 8 42 42 LEU .487 .611 .553 4 4 8 43 43 LEU .419 .500 .461 4 4 8 44 44 ASP .589 1.121 .895 4 4 8 45 45 TYR .598 2.082 1.734 4 8 12 46 46 SER .602 1.370 .931 4 2 6 47 47 GLY .792 .000 .792 4 0 4 48 48 ARG .678 4.000 3.217 4 7 11 49 49 SER .528 .487 .514 4 2 6 50 50 TRP .576 .611 .601 4 10 14 51 51 THR .815 1.015 .906 4 3 7 52 52 VAL .951 1.043 .991 4 3 7 53 53 ARG 1.077 1.942 1.679 4 7 11 54 54 MET 1.201 1.012 1.111 4 4 8 55 55 LYS .852 2.069 1.643 4 5 9 56 56 LYS .906 .846 .873 4 5 9 57 57 ARG 1.759 1.384 1.531 4 7 11 58 58 GLY 2.620 .000 2.620 4 0 4 59 59 GLU 2.275 4.893 3.950 4 5 9 60 60 LYS 1.499 2.637 2.205 4 5 9 61 61 VAL .840 .614 .752 4 3 7 62 62 PHE 1.067 2.459 2.065 4 7 11 63 63 LEU 1.247 2.167 1.768 4 4 8 64 64 THR 1.025 2.001 1.522 4 3 7 65 65 VAL 1.830 2.682 2.235 4 3 7 66 66 GLY 1.722 .000 1.722 4 0 4 67 67 TRP .894 .719 .773 4 10 14 68 68 GLU .618 1.344 1.083 4 5 9 69 69 ASN .488 1.002 .788 4 4 8 70 70 PHE .456 1.025 .863 4 7 11 71 71 VAL .423 1.348 .938 4 3 7 72 72 LYS .524 2.949 2.225 4 5 9 73 73 ASP .530 .890 .733 4 4 8 74 74 ASN .575 1.631 1.223 4 4 8 75 75 ASN .583 .884 .749 4 4 8 76 76 LEU .589 1.304 1.012 4 4 8 77 77 GLU .572 1.387 1.102 4 5 9 78 78 ASP .677 2.029 1.513 4 4 8 79 79 GLY .716 .000 .716 4 0 4 80 80 LYS .653 1.113 .937 4 5 9 81 81 TYR .614 1.057 .933 4 8 12 82 82 LEU .713 1.459 1.148 4 4 8 83 83 GLN .561 .933 .790 4 5 9 84 84 PHE .703 1.208 1.053 4 7 11 85 85 ILE .595 .800 .705 4 4 8 86 86 TYR .755 3.871 3.191 4 8 12 87 87 ASP 1.236 2.241 1.810 4 4 8 88 88 ARG .984 1.991 1.695 4 7 11 89 89 ASP 1.397 1.664 1.536 4 4 8 90 90 ARG 1.208 2.436 2.076 4 7 11 91 91 THR .582 .927 .750 4 3 7 92 92 PHE .335 1.420 1.150 4 7 11 93 93 TYR .330 1.672 1.379 4 8 12 94 94 VAL .684 1.011 .840 4 3 7 95 95 ILE .503 1.132 .876 4 4 8 96 96 ILE .443 1.634 1.197 4 4 8 97 97 TYR .575 1.966 1.639 4 8 12 98 98 GLY 1.650 .000 1.650 4 0 4 99 99 HIS 2.869 5.748 4.808 4 6 10 100 100 ASN 2.922 4.685 3.904 4 4 8 101 101 MET 5.537 6.655 6.122 4 4 8 102 102 CYS 7.233 7.716 7.430 3 2 5 ENDMDL Model RMS deviations: 1.5259 2.3149 1.9755 407 440 847 MODEL 12 1 1 MET 7.180 4.596 6.028 4 4 8 2 2 ALA 6.652 8.395 7.035 4 1 5 3 3 ASP 4.131 2.209 3.312 4 4 8 4 4 THR 3.772 6.057 4.884 4 3 7 5 5 GLY 1.306 .000 1.306 4 0 4 6 6 GLU 1.182 1.609 1.435 4 5 9 7 7 VAL 1.114 1.062 1.092 4 3 7 8 8 GLN 1.122 1.380 1.272 4 5 9 9 9 PHE 1.256 1.552 1.452 4 7 11 10 10 MET 1.272 1.319 1.296 4 4 8 11 11 LYS .911 1.716 1.416 4 5 9 12 12 PRO .732 .929 .823 4 3 7 13 13 PHE .705 1.888 1.565 4 7 11 14 14 ILE .864 1.659 1.323 4 4 8 15 15 SER 1.449 1.292 1.399 4 2 6 16 16 GLU 2.029 3.110 2.684 4 5 9 17 17 LYS 1.428 3.027 2.449 4 5 9 18 18 SER 1.292 1.462 1.351 4 2 6 19 19 SER 1.543 1.388 1.493 4 2 6 20 20 LYS 1.716 4.409 3.480 4 5 9 21 21 SER 1.057 .833 .988 4 2 6 22 22 LEU .503 .713 .617 4 4 8 23 23 GLU .462 1.726 1.323 4 5 9 24 24 ILE .644 .839 .748 4 4 8 25 25 PRO .916 .784 .862 4 3 7 26 26 LEU 1.033 1.359 1.207 4 4 8 27 27 GLY .845 .000 .845 4 0 4 28 28 PHE 1.006 2.642 2.193 4 7 11 29 29 ASN 1.048 1.336 1.201 4 4 8 30 30 GLU .931 1.363 1.191 4 5 9 31 31 TYR .837 1.326 1.186 4 8 12 32 32 PHE 1.041 1.904 1.643 4 7 11 33 33 PRO .933 1.103 1.009 4 3 7 34 34 ALA .672 .879 .719 4 1 5 35 35 PRO .586 .949 .763 4 3 7 36 36 PHE .590 .933 .825 4 7 11 37 37 PRO .705 .636 .676 4 3 7 38 38 ILE 1.055 1.324 1.197 4 4 8 39 39 THR .907 1.336 1.111 4 3 7 40 40 VAL .504 1.180 .861 4 3 7 41 41 ASP .538 1.780 1.315 4 4 8 42 42 LEU .388 .373 .381 4 4 8 43 43 LEU .549 .880 .734 4 4 8 44 44 ASP .630 1.094 .892 4 4 8 45 45 TYR .706 4.132 3.398 4 8 12 46 46 SER .860 1.170 .975 4 2 6 47 47 GLY 1.075 .000 1.075 4 0 4 48 48 ARG .777 2.230 1.840 4 7 11 49 49 SER .693 1.049 .829 4 2 6 50 50 TRP .483 .727 .667 4 10 14 51 51 THR .485 .437 .465 4 3 7 52 52 VAL .678 1.022 .843 4 3 7 53 53 ARG .765 1.831 1.531 4 7 11 54 54 MET .631 .797 .719 4 4 8 55 55 LYS .507 1.840 1.412 4 5 9 56 56 LYS .405 1.395 1.075 4 5 9 57 57 ARG .813 2.587 2.121 4 7 11 58 58 GLY .955 .000 .955 4 0 4 59 59 GLU .819 3.587 2.729 4 5 9 60 60 LYS .356 1.184 .914 4 5 9 61 61 VAL .566 .846 .700 4 3 7 62 62 PHE .754 1.377 1.189 4 7 11 63 63 LEU .648 1.483 1.144 4 4 8 64 64 THR .609 1.800 1.265 4 3 7 65 65 VAL .821 1.575 1.204 4 3 7 66 66 GLY .379 .000 .379 4 0 4 67 67 TRP .239 .559 .489 4 10 14 68 68 GLU .341 1.437 1.095 4 5 9 69 69 ASN .323 1.178 .864 4 4 8 70 70 PHE .271 1.034 .841 4 7 11 71 71 VAL .376 1.623 1.100 4 3 7 72 72 LYS .249 2.120 1.589 4 5 9 73 73 ASP .196 .691 .508 4 4 8 74 74 ASN .291 .882 .657 4 4 8 75 75 ASN .513 1.038 .819 4 4 8 76 76 LEU .791 1.237 1.038 4 4 8 77 77 GLU .383 1.449 1.109 4 5 9 78 78 ASP .357 1.654 1.196 4 4 8 79 79 GLY .682 .000 .682 4 0 4 80 80 LYS .545 1.050 .863 4 5 9 81 81 TYR .485 1.327 1.120 4 8 12 82 82 LEU .562 .890 .744 4 4 8 83 83 GLN .762 1.920 1.518 4 5 9 84 84 PHE .885 1.391 1.231 4 7 11 85 85 ILE .884 .926 .905 4 4 8 86 86 TYR 1.084 2.595 2.210 4 8 12 87 87 ASP 1.257 2.154 1.763 4 4 8 88 88 ARG 1.793 2.102 1.995 4 7 11 89 89 ASP 1.295 1.794 1.565 4 4 8 90 90 ARG 1.422 2.627 2.265 4 7 11 91 91 THR 1.316 1.500 1.398 4 3 7 92 92 PHE 1.184 1.579 1.448 4 7 11 93 93 TYR .817 1.836 1.572 4 8 12 94 94 VAL .757 .726 .744 4 3 7 95 95 ILE .606 2.019 1.491 4 4 8 96 96 ILE .283 .836 .624 4 4 8 97 97 TYR .479 1.281 1.082 4 8 12 98 98 GLY .781 .000 .781 4 0 4 99 99 HIS 1.555 5.029 4.017 4 6 10 100 100 ASN 2.472 5.036 3.967 4 4 8 101 101 MET 4.355 7.404 6.074 4 4 8 102 102 CYS 4.976 3.460 4.433 3 2 5 ENDMDL Model RMS deviations: 1.5560 2.1705 1.9002 407 440 847 MODEL 13 1 1 MET 6.533 5.024 5.828 4 4 8 2 2 ALA 7.194 8.565 7.489 4 1 5 3 3 ASP 4.057 4.167 4.113 4 4 8 4 4 THR 2.336 4.470 3.418 4 3 7 5 5 GLY 1.917 .000 1.917 4 0 4 6 6 GLU .748 1.704 1.365 4 5 9 7 7 VAL .974 1.891 1.440 4 3 7 8 8 GLN 1.229 1.425 1.341 4 5 9 9 9 PHE 1.124 1.856 1.628 4 7 11 10 10 MET 1.312 1.739 1.541 4 4 8 11 11 LYS .690 1.207 1.011 4 5 9 12 12 PRO .695 .664 .682 4 3 7 13 13 PHE 1.118 2.274 1.935 4 7 11 14 14 ILE .787 1.052 .929 4 4 8 15 15 SER 1.147 1.887 1.437 4 2 6 16 16 GLU 1.178 1.211 1.197 4 5 9 17 17 LYS 1.253 1.230 1.240 4 5 9 18 18 SER 1.077 .940 1.033 4 2 6 19 19 SER 1.183 1.166 1.177 4 2 6 20 20 LYS 1.146 1.698 1.478 4 5 9 21 21 SER .856 1.808 1.256 4 2 6 22 22 LEU .549 1.530 1.149 4 4 8 23 23 GLU .282 3.274 2.448 4 5 9 24 24 ILE .231 .548 .420 4 4 8 25 25 PRO .847 1.422 1.130 4 3 7 26 26 LEU .763 1.487 1.182 4 4 8 27 27 GLY 1.207 .000 1.207 4 0 4 28 28 PHE 1.221 4.088 3.343 4 7 11 29 29 ASN .951 1.951 1.535 4 4 8 30 30 GLU 1.019 1.721 1.451 4 5 9 31 31 TYR 1.146 1.315 1.261 4 8 12 32 32 PHE 1.181 2.253 1.934 4 7 11 33 33 PRO 1.128 1.491 1.296 4 3 7 34 34 ALA 1.001 .692 .948 4 1 5 35 35 PRO 1.186 1.281 1.228 4 3 7 36 36 PHE 1.225 2.193 1.899 4 7 11 37 37 PRO 1.054 .947 1.009 4 3 7 38 38 ILE .898 1.320 1.129 4 4 8 39 39 THR .772 .967 .861 4 3 7 40 40 VAL .535 .758 .640 4 3 7 41 41 ASP .551 1.183 .923 4 4 8 42 42 LEU .685 1.021 .870 4 4 8 43 43 LEU .706 1.166 .964 4 4 8 44 44 ASP 1.078 1.841 1.509 4 4 8 45 45 TYR 1.396 2.306 2.048 4 8 12 46 46 SER 2.090 2.588 2.268 4 2 6 47 47 GLY 1.462 .000 1.462 4 0 4 48 48 ARG 1.333 1.342 1.339 4 7 11 49 49 SER 1.185 1.208 1.193 4 2 6 50 50 TRP .820 1.477 1.323 4 10 14 51 51 THR .573 .720 .640 4 3 7 52 52 VAL .517 1.478 1.043 4 3 7 53 53 ARG .479 1.641 1.340 4 7 11 54 54 MET .877 .691 .790 4 4 8 55 55 LYS .460 1.039 .833 4 5 9 56 56 LYS .328 1.356 1.034 4 5 9 57 57 ARG .511 2.475 1.998 4 7 11 58 58 GLY .756 .000 .756 4 0 4 59 59 GLU 1.088 1.972 1.639 4 5 9 60 60 LYS .869 2.330 1.831 4 5 9 61 61 VAL .451 .695 .569 4 3 7 62 62 PHE .399 2.852 2.288 4 7 11 63 63 LEU .614 .768 .695 4 4 8 64 64 THR .783 1.430 1.108 4 3 7 65 65 VAL .293 1.097 .752 4 3 7 66 66 GLY .481 .000 .481 4 0 4 67 67 TRP .884 1.268 1.171 4 10 14 68 68 GLU .840 1.727 1.404 4 5 9 69 69 ASN .957 1.275 1.127 4 4 8 70 70 PHE 1.088 1.938 1.679 4 7 11 71 71 VAL 1.055 1.021 1.041 4 3 7 72 72 LYS .943 1.730 1.435 4 5 9 73 73 ASP .900 1.685 1.351 4 4 8 74 74 ASN .714 1.382 1.100 4 4 8 75 75 ASN .520 .758 .650 4 4 8 76 76 LEU .942 1.463 1.231 4 4 8 77 77 GLU .907 1.214 1.089 4 5 9 78 78 ASP .850 1.629 1.299 4 4 8 79 79 GLY .576 .000 .576 4 0 4 80 80 LYS .502 1.528 1.187 4 5 9 81 81 TYR .442 .735 .652 4 8 12 82 82 LEU .492 .876 .711 4 4 8 83 83 GLN .602 2.159 1.658 4 5 9 84 84 PHE .724 4.249 3.418 4 7 11 85 85 ILE .600 .771 .691 4 4 8 86 86 TYR 1.236 1.569 1.466 4 8 12 87 87 ASP 1.814 1.869 1.842 4 4 8 88 88 ARG 1.624 3.618 3.048 4 7 11 89 89 ASP 1.653 1.709 1.681 4 4 8 90 90 ARG 1.279 2.166 1.892 4 7 11 91 91 THR .923 1.479 1.194 4 3 7 92 92 PHE .850 3.041 2.480 4 7 11 93 93 TYR .968 2.198 1.879 4 8 12 94 94 VAL .933 .949 .940 4 3 7 95 95 ILE .827 1.835 1.424 4 4 8 96 96 ILE .501 1.130 .874 4 4 8 97 97 TYR .402 1.049 .887 4 8 12 98 98 GLY 1.250 .000 1.250 4 0 4 99 99 HIS 5.157 9.348 7.941 4 6 10 100 100 ASN 6.051 9.264 7.824 4 4 8 101 101 MET 5.735 5.321 5.532 4 4 8 102 102 CYS 8.144 7.392 7.852 3 2 5 ENDMDL Model RMS deviations: 1.8593 2.5377 2.2375 407 440 847 MODEL 14 1 1 MET 7.774 8.747 8.275 4 4 8 2 2 ALA 5.120 6.107 5.332 4 1 5 3 3 ASP 3.321 4.000 3.676 4 4 8 4 4 THR 2.045 3.973 3.026 4 3 7 5 5 GLY 1.082 .000 1.082 4 0 4 6 6 GLU .893 .881 .886 4 5 9 7 7 VAL .806 .929 .861 4 3 7 8 8 GLN .841 1.983 1.581 4 5 9 9 9 PHE .758 1.879 1.567 4 7 11 10 10 MET .820 1.597 1.270 4 4 8 11 11 LYS .882 1.541 1.290 4 5 9 12 12 PRO .861 1.178 1.009 4 3 7 13 13 PHE .703 1.725 1.440 4 7 11 14 14 ILE .631 1.079 .884 4 4 8 15 15 SER .913 1.042 .958 4 2 6 16 16 GLU 1.058 2.785 2.192 4 5 9 17 17 LYS .629 .909 .797 4 5 9 18 18 SER .318 .575 .421 4 2 6 19 19 SER .420 1.585 .977 4 2 6 20 20 LYS .358 2.650 1.989 4 5 9 21 21 SER .401 .410 .404 4 2 6 22 22 LEU .438 1.579 1.159 4 4 8 23 23 GLU .805 2.410 1.875 4 5 9 24 24 ILE .893 .816 .856 4 4 8 25 25 PRO 1.096 1.408 1.239 4 3 7 26 26 LEU .981 2.012 1.583 4 4 8 27 27 GLY .956 .000 .956 4 0 4 28 28 PHE .793 1.257 1.111 4 7 11 29 29 ASN .433 1.304 .971 4 4 8 30 30 GLU .855 1.799 1.457 4 5 9 31 31 TYR 1.016 2.019 1.750 4 8 12 32 32 PHE .738 1.324 1.146 4 7 11 33 33 PRO .890 1.497 1.189 4 3 7 34 34 ALA .754 .782 .760 4 1 5 35 35 PRO .858 .861 .859 4 3 7 36 36 PHE .710 1.842 1.531 4 7 11 37 37 PRO .561 .662 .606 4 3 7 38 38 ILE .539 1.103 .868 4 4 8 39 39 THR .740 1.358 1.050 4 3 7 40 40 VAL .627 .942 .778 4 3 7 41 41 ASP .697 1.761 1.339 4 4 8 42 42 LEU .712 .583 .651 4 4 8 43 43 LEU .630 .614 .622 4 4 8 44 44 ASP .724 .959 .850 4 4 8 45 45 TYR 1.133 1.639 1.490 4 8 12 46 46 SER 1.288 2.337 1.711 4 2 6 47 47 GLY 1.043 .000 1.043 4 0 4 48 48 ARG .840 3.714 3.006 4 7 11 49 49 SER .604 1.690 1.093 4 2 6 50 50 TRP .608 .403 .471 4 10 14 51 51 THR .850 1.020 .926 4 3 7 52 52 VAL .673 1.523 1.120 4 3 7 53 53 ARG .542 2.620 2.115 4 7 11 54 54 MET .668 1.075 .895 4 4 8 55 55 LYS .600 2.268 1.737 4 5 9 56 56 LYS .884 1.260 1.109 4 5 9 57 57 ARG .994 2.542 2.114 4 7 11 58 58 GLY 1.467 .000 1.467 4 0 4 59 59 GLU .768 2.313 1.799 4 5 9 60 60 LYS .679 2.630 2.012 4 5 9 61 61 VAL .334 .530 .429 4 3 7 62 62 PHE .452 1.232 1.020 4 7 11 63 63 LEU .367 1.224 .903 4 4 8 64 64 THR .443 1.569 1.080 4 3 7 65 65 VAL .509 1.671 1.160 4 3 7 66 66 GLY .477 .000 .477 4 0 4 67 67 TRP .342 .535 .488 4 10 14 68 68 GLU .280 1.880 1.413 4 5 9 69 69 ASN .379 .793 .621 4 4 8 70 70 PHE .486 1.072 .904 4 7 11 71 71 VAL .422 .532 .472 4 3 7 72 72 LYS .538 2.572 1.950 4 5 9 73 73 ASP .682 2.063 1.537 4 4 8 74 74 ASN .822 1.030 .932 4 4 8 75 75 ASN .769 1.438 1.153 4 4 8 76 76 LEU .307 .602 .478 4 4 8 77 77 GLU .550 2.239 1.709 4 5 9 78 78 ASP .794 1.308 1.082 4 4 8 79 79 GLY .657 .000 .657 4 0 4 80 80 LYS .335 .586 .491 4 5 9 81 81 TYR .466 1.095 .933 4 8 12 82 82 LEU .572 .934 .774 4 4 8 83 83 GLN .546 1.324 1.052 4 5 9 84 84 PHE .588 1.422 1.188 4 7 11 85 85 ILE .592 .784 .694 4 4 8 86 86 TYR .737 1.181 1.054 4 8 12 87 87 ASP .612 1.925 1.428 4 4 8 88 88 ARG 1.546 2.398 2.128 4 7 11 89 89 ASP .971 1.264 1.127 4 4 8 90 90 ARG .644 2.041 1.674 4 7 11 91 91 THR .785 1.624 1.218 4 3 7 92 92 PHE .645 1.300 1.108 4 7 11 93 93 TYR .519 1.129 .969 4 8 12 94 94 VAL .619 .869 .737 4 3 7 95 95 ILE .439 .652 .556 4 4 8 96 96 ILE .469 .966 .760 4 4 8 97 97 TYR .741 1.141 1.026 4 8 12 98 98 GLY 1.145 .000 1.145 4 0 4 99 99 HIS 2.303 4.031 3.445 4 6 10 100 100 ASN 2.574 4.856 3.886 4 4 8 101 101 MET 1.352 2.554 2.044 4 4 8 102 102 CYS 3.267 4.258 3.695 3 2 5 ENDMDL Model RMS deviations: 1.3143 2.0212 1.7182 407 440 847 MODEL 15 1 1 MET 4.081 5.910 5.079 4 4 8 2 2 ALA 6.187 7.123 6.385 4 1 5 3 3 ASP 5.511 3.779 4.725 4 4 8 4 4 THR 5.629 7.903 6.698 4 3 7 5 5 GLY 3.093 .000 3.093 4 0 4 6 6 GLU 1.702 2.470 2.163 4 5 9 7 7 VAL .929 1.229 1.068 4 3 7 8 8 GLN .848 2.127 1.683 4 5 9 9 9 PHE .697 3.311 2.675 4 7 11 10 10 MET .544 1.720 1.275 4 4 8 11 11 LYS .431 .818 .674 4 5 9 12 12 PRO .615 .764 .683 4 3 7 13 13 PHE .566 3.391 2.727 4 7 11 14 14 ILE .787 1.188 1.008 4 4 8 15 15 SER .989 1.191 1.061 4 2 6 16 16 GLU 1.253 2.032 1.730 4 5 9 17 17 LYS .893 1.322 1.151 4 5 9 18 18 SER .362 1.569 .953 4 2 6 19 19 SER .901 1.870 1.306 4 2 6 20 20 LYS .596 3.071 2.323 4 5 9 21 21 SER .425 1.149 .748 4 2 6 22 22 LEU .589 1.164 .922 4 4 8 23 23 GLU 1.038 1.561 1.354 4 5 9 24 24 ILE 1.456 1.532 1.495 4 4 8 25 25 PRO 1.621 1.663 1.639 4 3 7 26 26 LEU 1.399 1.687 1.550 4 4 8 27 27 GLY 1.249 .000 1.249 4 0 4 28 28 PHE 1.151 2.847 2.375 4 7 11 29 29 ASN .814 1.104 .970 4 4 8 30 30 GLU .562 1.460 1.151 4 5 9 31 31 TYR .603 1.761 1.480 4 8 12 32 32 PHE .839 1.933 1.623 4 7 11 33 33 PRO .747 .650 .707 4 3 7 34 34 ALA .745 .768 .750 4 1 5 35 35 PRO .634 .533 .593 4 3 7 36 36 PHE .672 1.085 .955 4 7 11 37 37 PRO .634 .742 .682 4 3 7 38 38 ILE .663 .644 .653 4 4 8 39 39 THR .752 .667 .717 4 3 7 40 40 VAL .857 1.424 1.135 4 3 7 41 41 ASP .979 .947 .963 4 4 8 42 42 LEU .955 .959 .957 4 4 8 43 43 LEU 1.035 .749 .903 4 4 8 44 44 ASP 1.108 1.556 1.351 4 4 8 45 45 TYR 1.413 2.551 2.237 4 8 12 46 46 SER 1.478 1.442 1.466 4 2 6 47 47 GLY 1.065 .000 1.065 4 0 4 48 48 ARG .909 2.827 2.321 4 7 11 49 49 SER .764 .928 .822 4 2 6 50 50 TRP .716 .652 .671 4 10 14 51 51 THR .781 .889 .829 4 3 7 52 52 VAL .820 1.819 1.342 4 3 7 53 53 ARG .807 2.106 1.749 4 7 11 54 54 MET .801 .914 .859 4 4 8 55 55 LYS .774 2.193 1.714 4 5 9 56 56 LYS .930 1.096 1.026 4 5 9 57 57 ARG 1.285 4.552 3.713 4 7 11 58 58 GLY 1.821 .000 1.821 4 0 4 59 59 GLU 1.045 2.432 1.942 4 5 9 60 60 LYS .927 2.803 2.178 4 5 9 61 61 VAL .866 .894 .878 4 3 7 62 62 PHE .647 2.485 2.020 4 7 11 63 63 LEU .433 .558 .499 4 4 8 64 64 THR .687 1.434 1.073 4 3 7 65 65 VAL 1.091 2.123 1.616 4 3 7 66 66 GLY .791 .000 .791 4 0 4 67 67 TRP .361 .218 .267 4 10 14 68 68 GLU .253 1.456 1.098 4 5 9 69 69 ASN .276 .470 .385 4 4 8 70 70 PHE .337 1.030 .846 4 7 11 71 71 VAL .473 .566 .515 4 3 7 72 72 LYS .474 2.433 1.841 4 5 9 73 73 ASP .424 .812 .647 4 4 8 74 74 ASN .453 .999 .776 4 4 8 75 75 ASN .668 .960 .827 4 4 8 76 76 LEU .690 .857 .778 4 4 8 77 77 GLU .945 1.230 1.113 4 5 9 78 78 ASP 1.081 1.787 1.477 4 4 8 79 79 GLY 1.270 .000 1.270 4 0 4 80 80 LYS .990 2.015 1.641 4 5 9 81 81 TYR .428 1.124 .951 4 8 12 82 82 LEU .226 1.090 .787 4 4 8 83 83 GLN .572 .826 .724 4 5 9 84 84 PHE .831 1.381 1.210 4 7 11 85 85 ILE 1.118 1.050 1.084 4 4 8 86 86 TYR 1.114 2.571 2.195 4 8 12 87 87 ASP 1.427 2.245 1.881 4 4 8 88 88 ARG 1.899 2.735 2.464 4 7 11 89 89 ASP 1.695 1.688 1.691 4 4 8 90 90 ARG 1.560 4.887 4.010 4 7 11 91 91 THR 1.222 1.457 1.328 4 3 7 92 92 PHE 1.114 1.310 1.242 4 7 11 93 93 TYR 1.087 1.585 1.438 4 8 12 94 94 VAL .960 .959 .959 4 3 7 95 95 ILE .650 .834 .748 4 4 8 96 96 ILE .658 1.224 .983 4 4 8 97 97 TYR 1.054 2.324 1.993 4 8 12 98 98 GLY 3.304 .000 3.304 4 0 4 99 99 HIS 2.925 6.627 5.457 4 6 10 100 100 ASN 1.607 3.938 3.008 4 4 8 101 101 MET 3.704 5.940 4.950 4 4 8 102 102 CYS 3.921 3.155 3.634 3 2 5 ENDMDL Model RMS deviations: 1.5890 2.3722 2.0339 407 440 847 MODEL 16 1 1 MET 10.552 9.220 9.908 4 4 8 2 2 ALA 8.837 11.262 9.373 4 1 5 3 3 ASP 5.060 5.322 5.193 4 4 8 4 4 THR 3.813 6.471 5.124 4 3 7 5 5 GLY 1.429 .000 1.429 4 0 4 6 6 GLU .752 2.867 2.195 4 5 9 7 7 VAL .681 .710 .693 4 3 7 8 8 GLN .601 1.182 .968 4 5 9 9 9 PHE .625 2.743 2.220 4 7 11 10 10 MET .907 3.006 2.220 4 4 8 11 11 LYS .993 1.828 1.515 4 5 9 12 12 PRO 1.265 2.045 1.645 4 3 7 13 13 PHE .916 4.268 3.449 4 7 11 14 14 ILE .691 1.254 1.012 4 4 8 15 15 SER .494 .902 .659 4 2 6 16 16 GLU .793 1.831 1.463 4 5 9 17 17 LYS .812 1.637 1.335 4 5 9 18 18 SER .623 2.193 1.365 4 2 6 19 19 SER .727 2.352 1.482 4 2 6 20 20 LYS .723 2.655 2.037 4 5 9 21 21 SER .426 .985 .667 4 2 6 22 22 LEU .552 1.122 .884 4 4 8 23 23 GLU .971 2.613 2.052 4 5 9 24 24 ILE 1.268 1.029 1.155 4 4 8 25 25 PRO 1.965 1.857 1.919 4 3 7 26 26 LEU 2.391 3.391 2.934 4 4 8 27 27 GLY 2.244 .000 2.244 4 0 4 28 28 PHE 2.510 4.074 3.585 4 7 11 29 29 ASN 2.688 3.344 3.034 4 4 8 30 30 GLU 3.169 3.928 3.610 4 5 9 31 31 TYR 3.466 2.355 2.775 4 8 12 32 32 PHE 2.415 1.864 2.082 4 7 11 33 33 PRO 1.689 1.964 1.812 4 3 7 34 34 ALA 1.039 1.513 1.149 4 1 5 35 35 PRO .968 1.359 1.152 4 3 7 36 36 PHE .891 1.134 1.052 4 7 11 37 37 PRO .760 .741 .752 4 3 7 38 38 ILE .808 1.158 .999 4 4 8 39 39 THR .505 .527 .515 4 3 7 40 40 VAL .477 1.219 .876 4 3 7 41 41 ASP .393 .846 .660 4 4 8 42 42 LEU .154 .314 .247 4 4 8 43 43 LEU .426 .621 .533 4 4 8 44 44 ASP 1.391 2.384 1.952 4 4 8 45 45 TYR 2.226 2.640 2.509 4 8 12 46 46 SER 2.619 3.129 2.800 4 2 6 47 47 GLY 2.067 .000 2.067 4 0 4 48 48 ARG 1.334 3.172 2.655 4 7 11 49 49 SER .647 1.108 .829 4 2 6 50 50 TRP .308 .801 .697 4 10 14 51 51 THR .294 .457 .373 4 3 7 52 52 VAL .298 .809 .575 4 3 7 53 53 ARG .303 2.085 1.673 4 7 11 54 54 MET .545 1.049 .836 4 4 8 55 55 LYS .499 1.148 .918 4 5 9 56 56 LYS .902 1.049 .987 4 5 9 57 57 ARG .836 1.600 1.373 4 7 11 58 58 GLY 1.071 .000 1.071 4 0 4 59 59 GLU 1.778 1.417 1.588 4 5 9 60 60 LYS 1.451 3.466 2.759 4 5 9 61 61 VAL 1.691 1.705 1.697 4 3 7 62 62 PHE .916 1.976 1.670 4 7 11 63 63 LEU .778 .818 .798 4 4 8 64 64 THR .965 .886 .932 4 3 7 65 65 VAL .906 1.412 1.150 4 3 7 66 66 GLY .807 .000 .807 4 0 4 67 67 TRP .833 .858 .851 4 10 14 68 68 GLU .822 1.274 1.096 4 5 9 69 69 ASN .683 1.159 .951 4 4 8 70 70 PHE .414 .925 .779 4 7 11 71 71 VAL .362 .608 .483 4 3 7 72 72 LYS .752 1.587 1.285 4 5 9 73 73 ASP .966 1.211 1.095 4 4 8 74 74 ASN 1.237 1.800 1.544 4 4 8 75 75 ASN 1.179 1.407 1.298 4 4 8 76 76 LEU .887 1.257 1.088 4 4 8 77 77 GLU .719 1.465 1.192 4 5 9 78 78 ASP .479 .854 .692 4 4 8 79 79 GLY .898 .000 .898 4 0 4 80 80 LYS .809 5.083 3.827 4 5 9 81 81 TYR .395 4.036 3.303 4 8 12 82 82 LEU .734 1.369 1.098 4 4 8 83 83 GLN .823 1.502 1.247 4 5 9 84 84 PHE .944 1.172 1.095 4 7 11 85 85 ILE .914 .987 .952 4 4 8 86 86 TYR .903 1.566 1.381 4 8 12 87 87 ASP 1.247 2.447 1.942 4 4 8 88 88 ARG 1.033 2.186 1.852 4 7 11 89 89 ASP 1.228 1.838 1.563 4 4 8 90 90 ARG .866 2.744 2.250 4 7 11 91 91 THR .697 .930 .805 4 3 7 92 92 PHE .424 1.060 .884 4 7 11 93 93 TYR .542 4.113 3.373 4 8 12 94 94 VAL .376 .561 .464 4 3 7 95 95 ILE .432 .902 .707 4 4 8 96 96 ILE .539 1.502 1.129 4 4 8 97 97 TYR .968 1.488 1.337 4 8 12 98 98 GLY 2.701 .000 2.701 4 0 4 99 99 HIS 1.891 4.133 3.418 4 6 10 100 100 ASN 2.128 2.978 2.588 4 4 8 101 101 MET 3.299 5.052 4.267 4 4 8 102 102 CYS 4.820 4.448 4.675 3 2 5 ENDMDL Model RMS deviations: 2.0030 2.5627 2.3107 407 440 847 MODEL 17 1 1 MET 9.905 9.651 9.779 4 4 8 2 2 ALA 6.618 5.653 6.436 4 1 5 3 3 ASP 4.444 7.414 6.112 4 4 8 4 4 THR 1.745 2.519 2.112 4 3 7 5 5 GLY 1.373 .000 1.373 4 0 4 6 6 GLU 1.361 1.864 1.659 4 5 9 7 7 VAL 1.526 1.699 1.602 4 3 7 8 8 GLN 1.561 1.796 1.696 4 5 9 9 9 PHE 1.227 2.686 2.267 4 7 11 10 10 MET 1.068 1.342 1.213 4 4 8 11 11 LYS 1.099 1.225 1.171 4 5 9 12 12 PRO 1.097 1.364 1.219 4 3 7 13 13 PHE .975 1.606 1.410 4 7 11 14 14 ILE .516 .794 .669 4 4 8 15 15 SER .401 .802 .567 4 2 6 16 16 GLU .693 1.421 1.155 4 5 9 17 17 LYS .877 2.729 2.116 4 5 9 18 18 SER 1.085 1.297 1.160 4 2 6 19 19 SER 1.090 1.343 1.181 4 2 6 20 20 LYS .857 3.716 2.828 4 5 9 21 21 SER .645 .780 .693 4 2 6 22 22 LEU .762 1.096 .944 4 4 8 23 23 GLU .540 1.607 1.251 4 5 9 24 24 ILE .433 .520 .479 4 4 8 25 25 PRO .547 .784 .659 4 3 7 26 26 LEU 1.125 1.591 1.378 4 4 8 27 27 GLY 1.348 .000 1.348 4 0 4 28 28 PHE .972 1.483 1.320 4 7 11 29 29 ASN .958 1.279 1.130 4 4 8 30 30 GLU 1.370 1.757 1.597 4 5 9 31 31 TYR 1.527 1.567 1.554 4 8 12 32 32 PHE 1.515 1.510 1.512 4 7 11 33 33 PRO 1.809 2.045 1.913 4 3 7 34 34 ALA 1.532 1.461 1.518 4 1 5 35 35 PRO 1.377 1.748 1.547 4 3 7 36 36 PHE .928 1.785 1.530 4 7 11 37 37 PRO .527 .620 .569 4 3 7 38 38 ILE .694 .993 .857 4 4 8 39 39 THR .712 1.303 1.009 4 3 7 40 40 VAL .733 1.043 .880 4 3 7 41 41 ASP .749 1.381 1.111 4 4 8 42 42 LEU .787 .690 .740 4 4 8 43 43 LEU 1.049 1.625 1.368 4 4 8 44 44 ASP 1.698 1.927 1.816 4 4 8 45 45 TYR 2.881 4.159 3.782 4 8 12 46 46 SER 3.384 3.470 3.413 4 2 6 47 47 GLY 2.389 .000 2.389 4 0 4 48 48 ARG 1.746 2.555 2.294 4 7 11 49 49 SER 1.159 2.268 1.616 4 2 6 50 50 TRP .792 .485 .590 4 10 14 51 51 THR .690 .923 .798 4 3 7 52 52 VAL .612 .978 .790 4 3 7 53 53 ARG .509 1.836 1.496 4 7 11 54 54 MET .277 .840 .626 4 4 8 55 55 LYS .174 2.190 1.636 4 5 9 56 56 LYS .205 1.362 1.024 4 5 9 57 57 ARG .164 1.211 .971 4 7 11 58 58 GLY .275 .000 .275 4 0 4 59 59 GLU .351 1.238 .952 4 5 9 60 60 LYS .509 2.103 1.604 4 5 9 61 61 VAL .380 .340 .363 4 3 7 62 62 PHE .560 1.823 1.493 4 7 11 63 63 LEU .707 1.297 1.045 4 4 8 64 64 THR .704 1.057 .873 4 3 7 65 65 VAL .851 2.170 1.559 4 3 7 66 66 GLY .800 .000 .800 4 0 4 67 67 TRP .468 .436 .445 4 10 14 68 68 GLU .699 2.154 1.672 4 5 9 69 69 ASN .598 1.092 .880 4 4 8 70 70 PHE .581 1.288 1.085 4 7 11 71 71 VAL .573 .867 .714 4 3 7 72 72 LYS .502 2.144 1.633 4 5 9 73 73 ASP .560 .817 .700 4 4 8 74 74 ASN .674 .724 .700 4 4 8 75 75 ASN .717 1.018 .881 4 4 8 76 76 LEU .587 .739 .667 4 4 8 77 77 GLU .513 2.302 1.750 4 5 9 78 78 ASP .759 1.736 1.340 4 4 8 79 79 GLY .876 .000 .876 4 0 4 80 80 LYS .886 1.882 1.522 4 5 9 81 81 TYR .823 1.983 1.687 4 8 12 82 82 LEU .718 1.450 1.144 4 4 8 83 83 GLN .921 1.424 1.226 4 5 9 84 84 PHE 1.587 3.311 2.810 4 7 11 85 85 ILE 1.751 2.050 1.907 4 4 8 86 86 TYR 1.675 2.035 1.923 4 8 12 87 87 ASP 1.775 1.493 1.640 4 4 8 88 88 ARG .370 1.527 1.238 4 7 11 89 89 ASP .403 1.225 .912 4 4 8 90 90 ARG .751 3.095 2.510 4 7 11 91 91 THR .507 1.644 1.143 4 3 7 92 92 PHE .908 1.250 1.137 4 7 11 93 93 TYR 1.188 2.012 1.780 4 8 12 94 94 VAL 1.047 1.818 1.429 4 3 7 95 95 ILE .680 1.480 1.152 4 4 8 96 96 ILE .505 1.263 .962 4 4 8 97 97 TYR 1.388 1.503 1.466 4 8 12 98 98 GLY 2.049 .000 2.049 4 0 4 99 99 HIS 3.045 4.463 3.957 4 6 10 100 100 ASN 1.955 4.192 3.271 4 4 8 101 101 MET 2.935 4.299 3.681 4 4 8 102 102 CYS 4.216 5.107 4.593 3 2 5 ENDMDL Model RMS deviations: 1.7554 2.2835 2.0468 407 440 847 MODEL 18 1 1 MET 8.476 13.765 11.431 4 4 8 2 2 ALA 5.894 5.332 5.786 4 1 5 3 3 ASP 3.044 5.055 4.173 4 4 8 4 4 THR 1.576 3.185 2.402 4 3 7 5 5 GLY 1.305 .000 1.305 4 0 4 6 6 GLU 1.194 1.091 1.138 4 5 9 7 7 VAL .962 1.043 .997 4 3 7 8 8 GLN .844 2.035 1.618 4 5 9 9 9 PHE .852 2.899 2.369 4 7 11 10 10 MET .874 1.551 1.259 4 4 8 11 11 LYS .570 1.898 1.465 4 5 9 12 12 PRO .574 .861 .711 4 3 7 13 13 PHE .672 1.854 1.533 4 7 11 14 14 ILE 1.052 1.000 1.026 4 4 8 15 15 SER 1.179 1.375 1.248 4 2 6 16 16 GLU 1.134 3.260 2.545 4 5 9 17 17 LYS .770 1.402 1.164 4 5 9 18 18 SER .393 .550 .452 4 2 6 19 19 SER .313 1.176 .726 4 2 6 20 20 LYS .232 1.062 .807 4 5 9 21 21 SER .367 1.024 .663 4 2 6 22 22 LEU .389 1.157 .863 4 4 8 23 23 GLU .616 2.597 1.979 4 5 9 24 24 ILE .502 .638 .574 4 4 8 25 25 PRO .836 1.049 .933 4 3 7 26 26 LEU .973 1.732 1.405 4 4 8 27 27 GLY 1.552 .000 1.552 4 0 4 28 28 PHE 1.976 1.561 1.723 4 7 11 29 29 ASN 1.804 2.189 2.005 4 4 8 30 30 GLU 1.492 2.705 2.248 4 5 9 31 31 TYR 1.266 1.694 1.564 4 8 12 32 32 PHE 1.128 .963 1.026 4 7 11 33 33 PRO 1.085 .930 1.021 4 3 7 34 34 ALA 1.087 1.247 1.121 4 1 5 35 35 PRO 1.289 1.537 1.401 4 3 7 36 36 PHE 1.263 2.280 1.972 4 7 11 37 37 PRO .884 .976 .924 4 3 7 38 38 ILE .611 .906 .772 4 4 8 39 39 THR .538 .369 .473 4 3 7 40 40 VAL .660 1.494 1.098 4 3 7 41 41 ASP .870 1.178 1.035 4 4 8 42 42 LEU .931 .811 .873 4 4 8 43 43 LEU 1.166 1.603 1.402 4 4 8 44 44 ASP 1.749 1.835 1.793 4 4 8 45 45 TYR 2.546 3.724 3.378 4 8 12 46 46 SER 2.774 2.822 2.790 4 2 6 47 47 GLY 2.300 .000 2.300 4 0 4 48 48 ARG 1.611 3.691 3.100 4 7 11 49 49 SER .965 .756 .900 4 2 6 50 50 TRP .740 1.420 1.263 4 10 14 51 51 THR .682 .643 .666 4 3 7 52 52 VAL .510 1.655 1.150 4 3 7 53 53 ARG .472 3.697 2.963 4 7 11 54 54 MET .801 1.224 1.034 4 4 8 55 55 LYS .763 1.573 1.278 4 5 9 56 56 LYS .977 1.495 1.291 4 5 9 57 57 ARG .846 3.313 2.692 4 7 11 58 58 GLY .802 .000 .802 4 0 4 59 59 GLU .522 1.945 1.491 4 5 9 60 60 LYS .412 1.665 1.271 4 5 9 61 61 VAL .363 .367 .365 4 3 7 62 62 PHE .360 2.728 2.187 4 7 11 63 63 LEU .359 1.250 .920 4 4 8 64 64 THR .376 1.566 1.064 4 3 7 65 65 VAL .261 .906 .625 4 3 7 66 66 GLY .431 .000 .431 4 0 4 67 67 TRP .397 .417 .411 4 10 14 68 68 GLU .325 .905 .708 4 5 9 69 69 ASN .579 1.308 1.012 4 4 8 70 70 PHE .446 1.358 1.116 4 7 11 71 71 VAL .477 .954 .721 4 3 7 72 72 LYS .534 2.406 1.828 4 5 9 73 73 ASP .529 1.244 .956 4 4 8 74 74 ASN .832 1.840 1.428 4 4 8 75 75 ASN 1.166 1.751 1.487 4 4 8 76 76 LEU 1.204 1.876 1.576 4 4 8 77 77 GLU 1.106 1.953 1.632 4 5 9 78 78 ASP .866 1.542 1.251 4 4 8 79 79 GLY .988 .000 .988 4 0 4 80 80 LYS .831 1.057 .963 4 5 9 81 81 TYR .757 2.008 1.697 4 8 12 82 82 LEU .395 1.167 .871 4 4 8 83 83 GLN .456 1.773 1.356 4 5 9 84 84 PHE .759 1.033 .943 4 7 11 85 85 ILE 1.326 1.311 1.319 4 4 8 86 86 TYR 1.858 5.100 4.300 4 8 12 87 87 ASP 2.844 7.111 5.416 4 4 8 88 88 ARG 1.594 6.985 5.654 4 7 11 89 89 ASP .882 1.293 1.107 4 4 8 90 90 ARG 1.177 2.693 2.262 4 7 11 91 91 THR 1.048 1.940 1.497 4 3 7 92 92 PHE 1.180 1.712 1.540 4 7 11 93 93 TYR 1.158 2.702 2.305 4 8 12 94 94 VAL .863 .736 .811 4 3 7 95 95 ILE .609 1.561 1.185 4 4 8 96 96 ILE .819 1.580 1.258 4 4 8 97 97 TYR .975 2.186 1.871 4 8 12 98 98 GLY 2.125 .000 2.125 4 0 4 99 99 HIS 3.389 6.340 5.358 4 6 10 100 100 ASN 2.214 4.098 3.294 4 4 8 101 101 MET 4.096 8.095 6.415 4 4 8 102 102 CYS 4.364 4.693 4.498 3 2 5 ENDMDL Model RMS deviations: 1.6506 2.9115 2.3901 407 440 847 MODEL 19 1 1 MET 4.970 6.639 5.864 4 4 8 2 2 ALA 2.569 2.755 2.607 4 1 5 3 3 ASP 1.274 3.543 2.662 4 4 8 4 4 THR 2.353 3.462 2.881 4 3 7 5 5 GLY 1.725 .000 1.725 4 0 4 6 6 GLU .452 1.813 1.384 4 5 9 7 7 VAL .223 .302 .260 4 3 7 8 8 GLN .236 1.058 .804 4 5 9 9 9 PHE .250 2.982 2.383 4 7 11 10 10 MET .269 1.083 .789 4 4 8 11 11 LYS .495 1.103 .886 4 5 9 12 12 PRO .289 .656 .482 4 3 7 13 13 PHE .373 1.404 1.142 4 7 11 14 14 ILE .339 1.049 .780 4 4 8 15 15 SER .800 2.021 1.337 4 2 6 16 16 GLU .509 2.065 1.576 4 5 9 17 17 LYS .386 1.712 1.302 4 5 9 18 18 SER .581 .984 .740 4 2 6 19 19 SER .595 1.217 .854 4 2 6 20 20 LYS .596 3.584 2.701 4 5 9 21 21 SER .234 .383 .292 4 2 6 22 22 LEU .353 1.669 1.206 4 4 8 23 23 GLU .562 2.027 1.557 4 5 9 24 24 ILE .771 1.018 .903 4 4 8 25 25 PRO 1.010 1.061 1.032 4 3 7 26 26 LEU .958 1.157 1.062 4 4 8 27 27 GLY 1.302 .000 1.302 4 0 4 28 28 PHE 1.088 1.308 1.232 4 7 11 29 29 ASN .845 2.950 2.170 4 4 8 30 30 GLU 1.409 2.406 2.025 4 5 9 31 31 TYR 1.583 2.144 1.975 4 8 12 32 32 PHE 1.243 1.392 1.339 4 7 11 33 33 PRO 1.201 1.444 1.311 4 3 7 34 34 ALA .685 1.262 .833 4 1 5 35 35 PRO .691 .546 .633 4 3 7 36 36 PHE 1.243 2.082 1.822 4 7 11 37 37 PRO 1.198 1.387 1.282 4 3 7 38 38 ILE .890 1.751 1.389 4 4 8 39 39 THR .562 1.363 .989 4 3 7 40 40 VAL .777 1.213 .988 4 3 7 41 41 ASP .780 2.362 1.759 4 4 8 42 42 LEU .661 .571 .618 4 4 8 43 43 LEU .533 2.832 2.038 4 4 8 44 44 ASP .721 1.496 1.174 4 4 8 45 45 TYR .951 4.305 3.557 4 8 12 46 46 SER 1.565 1.631 1.587 4 2 6 47 47 GLY 1.443 .000 1.443 4 0 4 48 48 ARG 1.148 1.976 1.722 4 7 11 49 49 SER .999 1.293 1.106 4 2 6 50 50 TRP .730 .858 .823 4 10 14 51 51 THR .733 1.865 1.341 4 3 7 52 52 VAL .826 1.167 .987 4 3 7 53 53 ARG .860 1.766 1.501 4 7 11 54 54 MET .681 .615 .649 4 4 8 55 55 LYS .458 1.438 1.114 4 5 9 56 56 LYS .473 1.062 .852 4 5 9 57 57 ARG .509 2.258 1.827 4 7 11 58 58 GLY 1.270 .000 1.270 4 0 4 59 59 GLU 1.641 1.578 1.606 4 5 9 60 60 LYS .788 2.066 1.627 4 5 9 61 61 VAL .548 .616 .578 4 3 7 62 62 PHE .261 1.559 1.254 4 7 11 63 63 LEU .216 .896 .652 4 4 8 64 64 THR .689 1.623 1.183 4 3 7 65 65 VAL .635 1.794 1.269 4 3 7 66 66 GLY .397 .000 .397 4 0 4 67 67 TRP .275 .699 .609 4 10 14 68 68 GLU .172 1.610 1.206 4 5 9 69 69 ASN .175 .380 .295 4 4 8 70 70 PHE .241 1.097 .887 4 7 11 71 71 VAL .432 .594 .508 4 3 7 72 72 LYS .531 1.981 1.519 4 5 9 73 73 ASP .536 .850 .711 4 4 8 74 74 ASN .547 1.049 .837 4 4 8 75 75 ASN .838 1.141 1.001 4 4 8 76 76 LEU .820 .931 .878 4 4 8 77 77 GLU .835 1.462 1.224 4 5 9 78 78 ASP .827 1.299 1.089 4 4 8 79 79 GLY .945 .000 .945 4 0 4 80 80 LYS .839 1.299 1.118 4 5 9 81 81 TYR .743 1.408 1.227 4 8 12 82 82 LEU .629 1.240 .983 4 4 8 83 83 GLN .284 .664 .530 4 5 9 84 84 PHE .495 1.392 1.150 4 7 11 85 85 ILE .501 .748 .637 4 4 8 86 86 TYR .459 1.605 1.337 4 8 12 87 87 ASP .906 1.623 1.314 4 4 8 88 88 ARG 1.147 2.034 1.764 4 7 11 89 89 ASP 1.239 1.259 1.249 4 4 8 90 90 ARG 1.344 2.400 2.079 4 7 11 91 91 THR .898 1.343 1.110 4 3 7 92 92 PHE .538 1.053 .901 4 7 11 93 93 TYR .618 4.069 3.341 4 8 12 94 94 VAL .603 1.776 1.249 4 3 7 95 95 ILE .315 .863 .649 4 4 8 96 96 ILE .485 1.112 .858 4 4 8 97 97 TYR .642 1.086 .961 4 8 12 98 98 GLY 1.298 .000 1.298 4 0 4 99 99 HIS 1.259 4.134 3.300 4 6 10 100 100 ASN 3.790 7.203 5.756 4 4 8 101 101 MET 3.975 3.419 3.707 4 4 8 102 102 CYS 7.039 8.953 7.861 3 2 5 ENDMDL Model RMS deviations: 1.2923 2.1745 1.8052 407 440 847 MODEL 20 1 1 MET 8.687 7.444 8.089 4 4 8 2 2 ALA 5.541 5.495 5.532 4 1 5 3 3 ASP 3.594 6.154 5.040 4 4 8 4 4 THR 2.583 2.960 2.751 4 3 7 5 5 GLY 2.136 .000 2.136 4 0 4 6 6 GLU 1.513 2.356 2.025 4 5 9 7 7 VAL .468 .907 .691 4 3 7 8 8 GLN .573 2.037 1.566 4 5 9 9 9 PHE .547 2.905 2.341 4 7 11 10 10 MET .585 2.471 1.796 4 4 8 11 11 LYS .759 1.415 1.170 4 5 9 12 12 PRO 1.331 1.272 1.306 4 3 7 13 13 PHE 1.497 1.717 1.640 4 7 11 14 14 ILE .950 2.908 2.163 4 4 8 15 15 SER .500 .907 .664 4 2 6 16 16 GLU .858 1.845 1.489 4 5 9 17 17 LYS .867 1.982 1.586 4 5 9 18 18 SER .808 .945 .856 4 2 6 19 19 SER .775 1.015 .863 4 2 6 20 20 LYS .379 1.561 1.190 4 5 9 21 21 SER .496 .531 .508 4 2 6 22 22 LEU .719 1.413 1.121 4 4 8 23 23 GLU 1.281 2.240 1.875 4 5 9 24 24 ILE .974 1.018 .996 4 4 8 25 25 PRO 1.120 1.124 1.122 4 3 7 26 26 LEU 1.276 1.532 1.410 4 4 8 27 27 GLY 1.668 .000 1.668 4 0 4 28 28 PHE 1.493 1.259 1.349 4 7 11 29 29 ASN 1.042 .819 .937 4 4 8 30 30 GLU 1.369 2.820 2.291 4 5 9 31 31 TYR 1.383 1.591 1.525 4 8 12 32 32 PHE .868 1.997 1.677 4 7 11 33 33 PRO .877 .871 .874 4 3 7 34 34 ALA 1.276 1.220 1.265 4 1 5 35 35 PRO 1.842 2.665 2.232 4 3 7 36 36 PHE 1.729 2.249 2.075 4 7 11 37 37 PRO 1.150 1.121 1.138 4 3 7 38 38 ILE 1.244 1.535 1.397 4 4 8 39 39 THR .898 .989 .938 4 3 7 40 40 VAL .859 1.367 1.105 4 3 7 41 41 ASP .759 1.939 1.473 4 4 8 42 42 LEU .774 .885 .831 4 4 8 43 43 LEU .824 .723 .775 4 4 8 44 44 ASP .847 1.014 .934 4 4 8 45 45 TYR 1.279 4.552 3.789 4 8 12 46 46 SER 1.610 2.261 1.852 4 2 6 47 47 GLY 1.346 .000 1.346 4 0 4 48 48 ARG 1.025 3.271 2.682 4 7 11 49 49 SER .873 1.112 .959 4 2 6 50 50 TRP .786 .705 .729 4 10 14 51 51 THR .751 1.064 .899 4 3 7 52 52 VAL .823 1.176 .990 4 3 7 53 53 ARG .719 2.296 1.882 4 7 11 54 54 MET .769 1.316 1.078 4 4 8 55 55 LYS .531 .956 .795 4 5 9 56 56 LYS .446 .889 .726 4 5 9 57 57 ARG .799 1.414 1.226 4 7 11 58 58 GLY 1.421 .000 1.421 4 0 4 59 59 GLU 1.397 3.599 2.840 4 5 9 60 60 LYS .695 1.979 1.546 4 5 9 61 61 VAL .418 .473 .443 4 3 7 62 62 PHE .299 1.082 .882 4 7 11 63 63 LEU .416 .891 .696 4 4 8 64 64 THR .498 .692 .589 4 3 7 65 65 VAL .544 1.380 .993 4 3 7 66 66 GLY .415 .000 .415 4 0 4 67 67 TRP .377 .548 .505 4 10 14 68 68 GLU .231 1.622 1.219 4 5 9 69 69 ASN .332 .898 .677 4 4 8 70 70 PHE .462 1.128 .942 4 7 11 71 71 VAL .502 .709 .600 4 3 7 72 72 LYS .355 2.412 1.813 4 5 9 73 73 ASP .349 1.951 1.402 4 4 8 74 74 ASN .364 1.275 .937 4 4 8 75 75 ASN .375 .829 .644 4 4 8 76 76 LEU .550 1.418 1.075 4 4 8 77 77 GLU .618 1.927 1.494 4 5 9 78 78 ASP 1.013 1.285 1.157 4 4 8 79 79 GLY 1.040 .000 1.040 4 0 4 80 80 LYS .776 .857 .822 4 5 9 81 81 TYR .833 2.001 1.703 4 8 12 82 82 LEU .770 1.340 1.093 4 4 8 83 83 GLN .541 1.559 1.217 4 5 9 84 84 PHE .378 1.284 1.049 4 7 11 85 85 ILE 1.039 1.813 1.478 4 4 8 86 86 TYR 1.023 2.542 2.158 4 8 12 87 87 ASP 1.308 1.314 1.311 4 4 8 88 88 ARG 1.717 2.204 2.041 4 7 11 89 89 ASP 1.809 1.487 1.656 4 4 8 90 90 ARG 1.583 3.191 2.719 4 7 11 91 91 THR .805 .721 .770 4 3 7 92 92 PHE .699 1.151 1.010 4 7 11 93 93 TYR .675 4.034 3.316 4 8 12 94 94 VAL .924 2.052 1.514 4 3 7 95 95 ILE .900 1.696 1.358 4 4 8 96 96 ILE .963 1.128 1.049 4 4 8 97 97 TYR 1.434 1.361 1.386 4 8 12 98 98 GLY 1.838 .000 1.838 4 0 4 99 99 HIS .820 2.257 1.824 4 6 10 100 100 ASN 2.096 2.538 2.328 4 4 8 101 101 MET 5.101 5.028 5.065 4 4 8 102 102 CYS 8.716 10.115 9.301 3 2 5 ENDMDL Model RMS deviations: 1.7434 2.2858 2.0432 407 440 847 ALL MODELS 1 1 MET 7.412 7.893 7.656 80 80 160 2 2 ALA 5.874 6.596 6.025 80 20 100 3 3 ASP 3.839 4.590 4.231 80 80 160 4 4 THR 3.132 4.838 3.954 80 60 140 5 5 GLY 1.856 .000 1.856 80 0 80 6 6 GLU 1.405 2.088 1.816 80 100 180 7 7 VAL 1.060 1.291 1.165 80 60 140 8 8 GLN 1.017 1.703 1.439 80 100 180 9 9 PHE .852 2.352 1.946 80 140 220 10 10 MET .887 1.606 1.297 80 80 160 11 11 LYS .837 1.387 1.175 80 100 180 12 12 PRO .867 1.171 1.009 80 60 140 13 13 PHE .802 2.201 1.821 80 140 220 14 14 ILE .701 1.297 1.043 80 80 160 15 15 SER .860 1.314 1.034 80 40 120 16 16 GLU .988 1.876 1.546 80 100 180 17 17 LYS .873 1.750 1.429 80 100 180 18 18 SER .737 1.187 .912 80 40 120 19 19 SER .856 1.445 1.088 80 40 120 20 20 LYS .792 2.733 2.104 80 100 180 21 21 SER .585 1.041 .768 80 40 120 22 22 LEU .582 1.293 1.003 80 80 160 23 23 GLU .778 2.249 1.755 80 100 180 24 24 ILE .805 .950 .880 80 80 160 25 25 PRO .991 1.185 1.079 80 60 140 26 26 LEU 1.038 1.750 1.439 80 80 160 27 27 GLY 1.198 .000 1.198 80 0 80 28 28 PHE 1.171 2.436 2.068 80 140 220 29 29 ASN 1.069 1.650 1.390 80 80 160 30 30 GLU 1.317 2.222 1.874 80 100 180 31 31 TYR 1.392 1.750 1.639 80 160 240 32 32 PHE 1.234 1.697 1.544 80 140 220 33 33 PRO 1.314 1.458 1.378 80 60 140 34 34 ALA 1.208 1.297 1.226 80 20 100 35 35 PRO 1.217 1.538 1.364 80 60 140 36 36 PHE 1.043 1.893 1.636 80 140 220 37 37 PRO .812 .911 .856 80 60 140 38 38 ILE .825 1.072 .957 80 80 160 39 39 THR .681 .926 .795 80 60 140 40 40 VAL .630 1.104 .866 80 60 140 41 41 ASP .624 1.420 1.097 80 80 160 42 42 LEU .619 .745 .685 80 80 160 43 43 LEU .755 1.140 .967 80 80 160 44 44 ASP 1.091 1.558 1.345 80 80 160 45 45 TYR 1.606 3.203 2.775 80 160 240 46 46 SER 1.816 2.155 1.936 80 40 120 47 47 GLY 1.526 .000 1.526 80 0 80 48 48 ARG 1.105 3.035 2.511 80 140 220 49 49 SER .850 1.161 .965 80 40 120 50 50 TRP .635 .885 .821 80 200 280 51 51 THR .649 .906 .770 80 60 140 52 52 VAL .619 1.228 .930 80 60 140 53 53 ARG .632 2.184 1.784 80 140 220 54 54 MET .769 1.070 .932 80 80 160 55 55 LYS .713 1.951 1.530 80 100 180 56 56 LYS .821 1.343 1.141 80 100 180 57 57 ARG 1.002 2.633 2.185 80 140 220 58 58 GLY 1.378 .000 1.378 80 0 80 59 59 GLU 1.326 2.623 2.146 80 100 180 60 60 LYS .960 2.186 1.751 80 100 180 61 61 VAL .755 .777 .764 80 60 140 62 62 PHE .580 1.966 1.607 80 140 220 63 63 LEU .621 1.181 .944 80 80 160 64 64 THR .704 1.318 1.013 80 60 140 65 65 VAL .833 1.630 1.239 80 60 140 66 66 GLY .726 .000 .726 80 0 80 67 67 TRP .524 .598 .578 80 200 280 68 68 GLU .522 1.565 1.218 80 100 180 69 69 ASN .536 .972 .785 80 80 160 70 70 PHE .532 1.206 1.014 80 140 220 71 71 VAL .582 .975 .775 80 60 140 72 72 LYS .654 2.305 1.773 80 100 180 73 73 ASP .715 1.393 1.107 80 80 160 74 74 ASN .904 1.451 1.209 80 80 160 75 75 ASN .960 1.409 1.206 80 80 160 76 76 LEU .902 1.270 1.101 80 80 160 77 77 GLU .835 1.852 1.489 80 100 180 78 78 ASP .842 1.487 1.208 80 80 160 79 79 GLY .930 .000 .930 80 0 80 80 80 LYS .756 1.797 1.431 80 100 180 81 81 TYR .679 1.883 1.587 80 160 240 82 82 LEU .658 1.218 .979 80 80 160 83 83 GLN .651 1.626 1.288 80 100 180 84 84 PHE .800 1.712 1.448 80 140 220 85 85 ILE .911 1.105 1.013 80 80 160 86 86 TYR 1.068 2.545 2.168 80 160 240 87 87 ASP 1.429 2.491 2.030 80 80 160 88 88 ARG 1.415 2.834 2.417 80 140 220 89 89 ASP 1.208 1.635 1.437 80 80 160 90 90 ARG 1.122 3.206 2.646 80 140 220 91 91 THR .808 1.324 1.060 80 60 140 92 92 PHE .720 1.417 1.211 80 140 220 93 93 TYR .759 2.589 2.159 80 160 240 94 94 VAL .742 1.015 .869 80 60 140 95 95 ILE .682 1.535 1.187 80 80 160 96 96 ILE .649 1.384 1.081 80 80 160 97 97 TYR 1.029 1.519 1.375 80 160 240 98 98 GLY 1.921 .000 1.921 80 0 80 99 99 HIS 2.586 4.818 4.075 80 120 200 100 100 ASN 3.040 5.258 4.295 80 80 160 101 101 MET 4.037 5.287 4.704 80 80 160 102 102 CYS 5.803 6.497 6.090 60 40 100 ENDMDL Overall RMS deviation: 1.5976 2.2860 1.9852 8140 8800 16940